Sergei Grudinin

Work

Univ. Grenoble Alpes, CNRS, Grenoble INP, LJK

France

Publications

Application of Protein Language Models to Drug Design

Summary

other

From Epilepsy Seizures Classification to Detection: A Deep Learning-based Approach for Raw EEG Signals

Summary

working-paper

SeaMoon: Prediction of molecular motions based on language models

Summary

working-paper

Anisotropic coarse-grain Monte Carlo simulations of lysozyme, lactoferrin, and NISTmAb by precomputing atomistic models

Published by

The Journal of Chemical Physics

Summary

journal-article

Assessment of Four Theoretical Approaches to Predict Protein Flexibility in the Crystal Phase and Solution

Published by

Journal of Chemical Theory and Computation

Summary

journal-article

ILPO-NET: Network for the invariant recognition of arbitrary volumetric patterns in 3D

Summary

conference-paper

Explaining Conformational Diversity in Protein Families through Molecular Motions

Published by

Scientific Data

Summary

journal-article

On the Fourier analysis in the SO(3) space : EquiLoPO Network

Summary

working-paper

AFMfit : Deciphering conformational dynamics in AFM data using fast nonlinear NMA and FFT-based search

Summary

working-paper

Voronota-LT: efficient, flexible and solvent-aware tessellation-based analysis of atomic interactions

Summary

working-paper

New Challenges in Structural Bioinformatics: When Physics Meets Big Data

Summary

dissertation-thesis

Annotating Macromolecular Complexes in the Protein Data Bank: Improving the FAIRness of Structure Data

Published by

Scientific Data

Summary

journal-article

Stages of OCP–FRP Interactions in the Regulation of Photoprotection in Cyanobacteria, Part 2: Small-Angle Neutron Scattering with Partial Deuteration

Published by

Journal of Physical Chemistry B

Summary

journal-article

3D live cell imaging of whole organoids in time-lapse using intensity diffraction tomography

Summary

conference-paper

Session introduction: AI-driven Advances in Modeling of Protein Structure

Summary

conference-paper

3D time-lapse imaging of a mouse embryo using intensity diffraction tomography embedded inside a deep learning framework

Published by

Applied optics

Summary

journal-article

Convex-PL-R - Revisiting affinity predictions and virtual screening using physics-informed machine learning

Summary

working-paper

Protein sequence-to-structure learning: Is this the end(-to-end revolution)?

Published by

Proteins - Structure, Function and Bioinformatics

Summary

journal-article

Modeling SARS‐CoV‐2 proteins in the CASP‐commons experiment

Published by

Proteins - Structure, Function and Bioinformatics

Summary

journal-article

Deep learning entering the post-protein structure prediction era : new horizons for structural biology

Published by

Acta Crystallographica Section A : Foundations and Advances [2014-...]

Summary

journal-article

Pepsi-SAXS/SANS -small-angle scattering-guided tools for integrative structural bioinformatics

Published by

Acta Crystallographica Section A : Foundations and Advances [2014-...]

Summary

journal-article

Prediction of protein assemblies, the next frontier: The CASP14‐CAPRI experiment

Published by

Proteins - Structure, Function and Bioinformatics

Summary

journal-article

KORP-PL: a coarse-grained knowledge-based scoring function for protein-ligand interactions

Published by

Bioinformatics

Summary

journal-article

HOPMA: Boosting protein functional dynamics with colored contact maps

Published by

Journal of Physical Chemistry B

Summary

journal-article

Deep learning framework applied to optical diffraction tomography (ODT)

Summary

conference-paper

VoroCNN: Deep convolutional neural network built on 3D Voronoi tessellation of protein structures

Published by

Bioinformatics

Summary

journal-article

Spherical convolutions on molecular graphs for protein model quality assessment

Published by

Machine Learning: Science and Technology

Summary

journal-article

Hydroxylation of antitubercular drug candidate, SQ109, by mycobacterial cytochrome P450

Published by

International Journal of Molecular Sciences

Summary

journal-article

Interdomain Flexibility within NADPH Oxidase Suggested by SANS Using LMNG Stealth Carrier

Published by

Biophysical Journal

Summary

journal-article

Interdomain Flexibility within NADPH Oxidase Suggested by SANS Using LMNG Stealth Carrier

Published by

Biophysical Journal

Summary

journal-article

AnAnaS: Software for Analytical Analysis of Symmetries in Protein Structures

Summary

book-chapter

Docking rigid macrocycles using Convex-PL, AutoDock Vina, and RDKit in the D3R Grand Challenge 4

Published by

Journal of Computer-Aided Molecular Design

Summary

journal-article

Erratum to: Assessment of chemical-crosslink-assisted protein structure modeling in CASP13 (Proteins: Structure, Function, and Bioinformatics, (2019), 87, 12, (1283-1297), 10.1002/prot.25816)

Published by

Proteins: Structure, Function and Bioinformatics

Summary

journal-article

AnAnaS: Software for Analytical Analysis of Symmetries in Protein Structures

Published by

Methods in Molecular Biology

Summary

book-chapter

Erratum to: Assessment of chemical-crosslink-assisted protein structure modeling in CASP13 (Proteins: Structure, Function, and Bioinformatics, (2019), 87, 12, (1283-1297), 10.1002/prot.25816)

Published by

Proteins: Structure, Function and Bioinformatics

Summary

journal-article

Predicting protein functional motions: an old recipe with a new twist

Published by

Biophysical Journal

Summary

journal-article

Predicting Protein Functional Motions: an Old Recipe with a New Twist

Published by

Biophysical Journal

Summary

journal-article

Predicting Protein Functional Motions: an Old Recipe with a New Twist

Published by

Biophysical Journal

Summary

journal-article

Interdomain Flexibility within NADPH Oxidase Suggested by SANS Using LMNG Stealth Carrier

Published by

Biophysical Journal

Summary

journal-article

Combining molecular dynamics simulations with small-angle X-ray and neutron scattering data to study multi-domain proteins in solution

Published by

PLoS Computational Biology

Summary

journal-article

RESEARCH ARTICLE Combining molecular dynamics simulations with small-angle X-ray and neutron scattering data to study multi-domain proteins in solution

Published by

PLoS Computational Biology

Summary

journal-article

RESEARCH ARTICLE Combining molecular dynamics simulations with small-angle X-ray and neutron scattering data to study multi-domain proteins in solution

Published by

PLoS Computational Biology

Summary

journal-article

Docking rigid macrocycles using Convex-PL, AutoDock Vina, and RDKit in the D3R Grand Challenge 4

Published by

Journal of Computer-Aided Molecular Design

Summary

journal-article

AnAnaS: Software for Analytical Analysis of Symmetries in Protein Structures

Published by

Methods in Molecular Biology

Summary

book-chapter

Blind prediction of homo‐ and hetero‐ protein complexes: The CASP13‐CAPRI experiment

Published by

Proteins - Structure, Function and Bioinformatics

Summary

journal-article

Blind prediction of homo- and hetero-protein complexes: The CASP13-CAPRI experiment

Published by

Proteins: Structure, Function and Bioinformatics

Summary

journal-article

Protein model quality assessment using 3D oriented convolutional neural networks

Published by

Bioinformatics

Summary

journal-article

Protein model quality assessment using 3D oriented convolutional neural networks

Published by

Bioinformatics

Summary

journal-article

Protein model quality assessment using 3D oriented convolutional neural networks

Published by

Bioinformatics

Summary

journal-article

KAP1 is an antiparallel dimer with a functional asymmetry

Published by

Life Science Alliance

Summary

journal-article

KAP1 is an antiparallel dimer with a functional asymmetry

Published by

Life Science Alliance

Summary

journal-article

KAP1 is an antiparallel dimer with a functional asymmetry

Published by

Life Science Alliance

Summary

journal-article

Smooth orientation-dependent scoring function for coarse-grained protein quality assessment

Published by

Bioinformatics

Summary

journal-article

Smooth orientation-dependent scoring function for coarse-grained protein quality assessment

Published by

Bioinformatics

Summary

journal-article

Blind prediction of homo- and hetero-protein complexes: The CASP13-CAPRI experiment

Published by

Proteins: Structure, Function and Bioinformatics

Summary

journal-article

DeepSymmetry : Using 3D convolutional networks for identification of tandem repeats and internal symmetries in protein structures

Published by

Bioinformatics

Summary

journal-article

DeepSymmetry: Using 3D convolutional networks for identification of tandem repeats and internal symmetries in protein structures

Published by

Bioinformatics

Summary

journal-article

DeepSymmetry: Using 3D convolutional networks for identification of tandem repeats and internal symmetries in protein structures

Published by

Bioinformatics

Summary

journal-article

Assessment of chemical‐crosslink‐assisted protein structure modeling in CASP13

Published by

Proteins - Structure, Function and Bioinformatics

Summary

journal-article

Assessment of chemical-crosslink-assisted protein structure modeling in CASP13

Published by

Proteins: Structure, Function and Bioinformatics

Summary

journal-article

Assessment of chemical-crosslink-assisted protein structure modeling in CASP13

Published by

Proteins: Structure, Function and Bioinformatics

Summary

journal-article

Small angle X‐ray scattering‐assisted protein structure prediction in CASP13 and emergence of solution structure differences

Published by

Proteins - Structure, Function and Bioinformatics

Summary

journal-article

Small angle X-ray scattering-assisted protein structure prediction in CASP13 and emergence of solution structure differences

Published by

Proteins: Structure, Function and Bioinformatics

Summary

journal-article

Small angle X-ray scattering-assisted protein structure prediction in CASP13 and emergence of solution structure differences

Published by

Proteins: Structure, Function and Bioinformatics

Summary

journal-article

Controlled‐advancement rigid‐body optimization of nanosystems

Published by

Journal of Computational Chemistry

Summary

journal-article

Controlled-advancement rigid-body optimization of nanosystems

Published by

Journal of Computational Chemistry

Summary

journal-article

Controlled-advancement rigid-body optimization of nanosystems

Published by

Journal of Computational Chemistry

Summary

journal-article

RapidRMSD: Rapid determination of RMSDs corresponding to motions of flexible molecules

Published by

Bioinformatics

Summary

journal-article

Deep convolutional networks for quality assessment of protein folds

Published by

Bioinformatics

Summary

journal-article

Deep convolutional networks for quality assessment of protein folds

Published by

Bioinformatics

Summary

journal-article

Deep convolutional networks for quality assessment of protein folds

Published by

Bioinformatics

Summary

journal-article

Analytical symmetry detection in protein assemblies. II. Dihedral and Cubic symmetries

Published by

Journal of Structural Biology

Summary

journal-article

Analytical symmetry detection in protein assemblies. II. Dihedral and cubic symmetries

Published by

Journal of Structural Biology

Summary

journal-article

Eurecon: Equidistant Uniform Rigid-body Ensemble Constructor

Published by

Journal of Molecular Graphics and Modelling

Summary

journal-article

Analytical symmetry detection in protein assemblies. II. Dihedral and cubic symmetries

Published by

Journal of Structural Biology

Summary

journal-article

Analytical symmetry detection in protein assemblies. I. Cyclic symmetries

Published by

Journal of Structural Biology

Summary

journal-article

Analytical symmetry detection in protein assemblies. I. Cyclic symmetries

Published by

Journal of Structural Biology

Summary

journal-article

Analytical symmetry detection in protein assemblies. I. Cyclic symmetries

Published by

Journal of Structural Biology

Summary

journal-article

RapidRMSD: Rapid determination of RMSDs corresponding to motions of flexible molecules

Published by

Bioinformatics

Summary

journal-article

RapidRMSD: Rapid determination of RMSDs corresponding to motions of flexible molecules

Published by

Bioinformatics

Summary

journal-article

Eurecon: Equidistant uniform rigid-body ensemble constructor

Published by

Journal of Molecular Graphics and Modelling

Summary

journal-article

Eurecon: Equidistant uniform rigid-body ensemble constructor

Published by

Journal of Molecular Graphics and Modelling

Summary

journal-article

User Guide for NOLB : Non-Linear Normal Mode Analysis

Summary

working-paper

Docking of small molecules to farnesoid X receptors using AutoDock Vina with the Convex-PL potential: lessons learned from D3R Grand Challenge 2

Published by

Journal of Computer-Aided Molecular Design

Summary

journal-article

Docking of small molecules to farnesoid X receptors using AutoDock Vina with the Convex-PL potential: lessons learned from D3R Grand Challenge 2

Published by

Journal of Computer-Aided Molecular Design

Summary

journal-article

Docking of small molecules to farnesoid X receptors using AutoDock Vina with the Convex-PL potential: lessons learned from D3R Grand Challenge 2

Published by

Journal of Computer-Aided Molecular Design

Summary

journal-article

A novel fast Fourier transform accelerated off-grid exhaustive search method for cryo-electron microscopy fitting

Published by

Journal of Applied Crystallography

Summary

journal-article

User Guide for AnAnaS : Analytical Analyzer of Symmetries

Summary

working-paper

Convex-PL: a novel knowledge-based potential for protein-ligand interactions deduced from structural databases using convex optimization

Published by

Journal of Computer-Aided Molecular Design

Summary

journal-article

Convex-PL: a novel knowledge-based potential for protein-ligand interactions deduced from structural databases using convex optimization

Published by

Journal of Computer-Aided Molecular Design

Summary

journal-article

Convex-PL: a novel knowledge-based potential for protein-ligand interactions deduced from structural databases using convex optimization

Published by

Journal of Computer-Aided Molecular Design

Summary

journal-article

Mechanism of transmembrane signaling by sensor histidine kinases

Published by

Science

Summary

journal-article

Mechanism of transmembrane signaling by sensor histidine kinases

Published by

Science

Summary

journal-article

Mechanism of transmembrane signaling by sensor histidine kinases

Published by

Science

Summary

journal-article

Pepsi-SAXS : an adaptive method for rapid and accurate computation of small-angle X-ray scattering profiles

Published by

Acta crystallographica Section D : Structural biology [1993-...]

Summary

journal-article

Pepsi-SAXS: An adaptive method for rapid and accurate computation of small-angle X-ray scattering profiles

Published by

Acta Crystallographica Section D: Structural Biology

Summary

journal-article

Pepsi-SAXS: An adaptive method for rapid and accurate computation of small-angle X-ray scattering profiles

Published by

Acta Crystallographica Section D: Structural Biology

Summary

journal-article

NOLB: Nonlinear Rigid Block Normal Mode Analysis Method

Published by

Journal of Chemical Theory and Computation

Summary

journal-article

NOLB: Nonlinear Rigid Block Normal-Mode Analysis Method

Published by

Journal of Chemical Theory and Computation

Summary

journal-article

NOLB: Nonlinear Rigid Block Normal-Mode Analysis Method

Published by

Journal of Chemical Theory and Computation

Summary

journal-article

Modeling and minimizing CAPRI round 30 symmetrical protein complexes from CASP-11 structural models

Published by

Proteins: Structure, Function, and Genetics

Summary

journal-article

A novel fast Fourier transform accelerated off-grid exhaustive search method for cryo-electron microscopy fitting

Published by

Journal of Applied Crystallography

Summary

journal-article

Modeling and minimizing CAPRI round 30 symmetrical protein complexes from CASP-11 structural models

Published by

Proteins: Structure, Function and Bioinformatics

Summary

journal-article

Modeling and minimizing CAPRI round 30 symmetrical protein complexes from CASP-11 structural models

Published by

Proteins: Structure, Function and Bioinformatics

Summary

journal-article

New Insights on Signal Propagation by Sensory Rhodopsin II/Transducer Complex

Published by

Scientific Reports

Summary

journal-article

New Insights on Signal Propagation by Sensory Rhodopsin II/Transducer Complex

Published by

Scientific Reports

Summary

journal-article

New Insights on Signal Propagation by Sensory Rhodopsin II/Transducer Complex

Published by

Scientific Reports

Summary

journal-article

Predicting binding poses and affinities for protein - ligand complexes in the 2015 D3R Grand Challenge using a physical model with a statistical parameter estimation

Published by

Journal of Computer-Aided Molecular Design

Summary

journal-article

Inverse Protein Folding Problem via Quadratic Programming

Summary

conference-paper

Quadratic Programming Approach to Fit Protein Complexes into Electron Density Maps

Summary

conference-paper

Prediction of homo- and hetero-protein complexes by protein docking and template-based modeling: a CASP-CAPRI experiment

Published by

Proteins - Structure, Function and Bioinformatics

Summary

journal-article

Prediction of homoprotein and heteroprotein complexes by protein docking and template-based modeling: A CASP-CAPRI experiment

Published by

Proteins: Structure, Function and Bioinformatics

Summary

journal-article

Prediction of homoprotein and heteroprotein complexes by protein docking and template-based modeling: A CASP-CAPRI experiment

Published by

Proteins: Structure, Function and Bioinformatics

Summary

journal-article

Predicting binding poses and affinities for protein-ligand complexes in the 2015 D3R Grand Challenge using a physical model with a statistical parameter estimation

Published by

Journal of Computer-Aided Molecular Design

Summary

journal-article

Predicting binding poses and affinities for protein - ligand complexes in the 2015 D3R Grand Challenge using a physical model with a statistical parameter estimation

Published by

Journal of Computer-Aided Molecular Design

Summary

journal-article

PEPSI-Dock: a detailed data-driven protein–protein interaction potential accelerated by polar Fourier correlation

Published by

Bioinformatics

Summary

journal-article

PEPSI-Dock: A detailed data-driven protein-protein interaction potential accelerated by polar Fourier correlation

Published by

Bioinformatics

Summary

journal-article

PEPSI-Dock: A detailed data-driven protein-protein interaction potential accelerated by polar Fourier correlation

Published by

Bioinformatics

Summary

journal-article

Knodle: A Support Vector Machines-Based Automatic Perception of Organic Molecules from 3D Coordinates

Published by

Journal of Chemical Information and Modeling

Summary

journal-article

Knodle: A Support Vector Machines-Based Automatic Perception of Organic Molecules from 3D Coordinates

Published by

Journal of Chemical Information and Modeling

Summary

journal-article

Knodle: A Support Vector Machines-Based Automatic Perception of Organic Molecules from 3D Coordinates

Published by

Journal of Chemical Information and Modeling

Summary

journal-article

Predicting Binding Poses and Affinities in the CSAR 2013―2014 Docking Exercises Using the Knowledge-Based Convex-PL Potential

Published by

Journal of Chemical Information and Modeling

Summary

journal-article

Predicting Binding Poses and Affinities in the CSAR 2013-2014 Docking Exercises Using the Knowledge-Based Convex-PL Potential

Published by

Journal of Chemical Information and Modeling

Summary

journal-article

Predicting Binding Poses and Affinities in the CSAR 2013-2014 Docking Exercises Using the Knowledge-Based Convex-PL Potential

Published by

Journal of Chemical Information and Modeling

Summary

journal-article

Principal component analysis of lipid molecule conformational changes in molecular dynamics simulations

Published by

Journal of Chemical Theory and Computation

Summary

journal-article

Principal Component Analysis of Lipid Molecule Conformational Changes in Molecular Dynamics Simulations

Published by

Journal of Chemical Theory and Computation

Summary

journal-article

Principal Component Analysis of Lipid Molecule Conformational Changes in Molecular Dynamics Simulations

Published by

Journal of Chemical Theory and Computation

Summary

journal-article

Spherical polar Fourier assembly of protein complexes with arbitrary point group symmetry

Published by

Journal of Applied Crystallography

Summary

journal-article

Spherical polar Fourier assembly of protein complexes with arbitrary point group symmetry

Published by

Journal of Applied Crystallography

Summary

journal-article

Spherical polar Fourier assembly of protein complexes with arbitrary point group symmetry

Published by

Journal of Applied Crystallography

Summary

journal-article

Knowledge of Native Protein-Protein Interfaces is Sufficient to Construct Predictive Models for the Selection of Binding Candidates

Published by

Journal of Chemical Information and Modeling

Summary

journal-article

Knowledge of Native Protein–Protein Interfaces Is Sufficient To Construct Predictive Models for the Selection of Binding Candidates

Published by

Journal of Chemical Information and Modeling

Summary

journal-article

Knowledge of Native Protein-Protein Interfaces is Sufficient to Construct Predictive Models for the Selection of Binding Candidates

Published by

Journal of Chemical Information and Modeling

Summary

journal-article

Advances in GPCR Modeling Evaluated by the GPCR Dock 2013 Assessment: Meeting New Challenges

Published by

Structure

Summary

journal-article

Advances in GPCR modeling evaluated by the GPCR Dock 2013 assessment: Meeting new challenges

Published by

Structure

Summary

journal-article

Advances in GPCR modeling evaluated by the GPCR Dock 2013 assessment: Meeting new challenges

Published by

Structure

Summary

journal-article

HermiteFit: fast-fitting atomic structures into a low-resolution density map using three-dimensional orthogonal Hermite functions

Published by

Acta crystallographica Section D : Structural biology [1993-...]

Summary

journal-article

HermiteFit: Fast-fitting atomic structures into a low-resolution density map using three-dimensional orthogonal Hermite functions

Published by

Acta Crystallographica Section D: Biological Crystallography

Summary

journal-article

HermiteFit: Fast-fitting atomic structures into a low-resolution density map using three-dimensional orthogonal Hermite functions

Published by

Acta Crystallographica Section D: Biological Crystallography

Summary

journal-article

X-ray structure of a CDP-alcohol phosphatidyltransferase membrane enzyme and insights into its catalytic mechanism

Published by

Nature Communications

Summary

journal-article

X-ray structure of a CDP-alcohol phosphatidyltransferase membrane enzyme and insights into its catalytic mechanism

Published by

Nature Communications

Summary

journal-article

X-ray structure of a CDP-alcohol phosphatidyltransferase membrane enzyme and insights into its catalytic mechanism

Published by

Nature Communications

Summary

journal-article

Rapid determination of RMSDs corresponding to macromolecular rigid body motions

Published by

Journal of Computational Chemistry

Summary

journal-article

Rapid determination of RMSDs corresponding to macromolecular rigid body motions

Published by

Journal of Computational Chemistry

Summary

journal-article

Rapid determination of RMSDs corresponding to macromolecular rigid body motions

Published by

Journal of Computational Chemistry

Summary

journal-article

Unique DC-SIGN Clustering Activity of a Small Glycomimetic: A Lesson for Ligand Design

Published by

ACS Chemical Biology

Summary

journal-article

Unique DC-SIGN clustering activity of a small glycomimetic: A lesson for ligand design

Published by

ACS Chemical Biology

Summary

journal-article

Unique DC-SIGN clustering activity of a small glycomimetic: A lesson for ligand design

Published by

ACS Chemical Biology

Summary

journal-article

Blind prediction of interfacial water positions in CAPRI

Published by

Proteins - Structure, Function and Bioinformatics

Summary

journal-article

Blind prediction of interfacial water positions in CAPRI

Published by

Proteins: Structure, Function and Bioinformatics

Summary

journal-article

Blind prediction of interfacial water positions in CAPRI

Published by

Proteins: Structure, Function and Bioinformatics

Summary

journal-article

DockTrina: Docking triangular protein trimers

Published by

Proteins: Structure, Function, and Genetics

Summary

journal-article

DockTrina: Docking triangular protein trimers

Published by

Proteins: Structure, Function and Bioinformatics

Summary

journal-article

DockTrina: Docking triangular protein trimers

Published by

Proteins: Structure, Function and Bioinformatics

Summary

journal-article

Community-wide evaluation of methods for predicting the effect of mutations on protein-protein interactions

Published by

Proteins: Structure, Function and Bioinformatics

Summary

journal-article

Community-wide evaluation of methods for predicting the effect of mutations on protein-protein interactions

Published by

Proteins - Structure, Function and Bioinformatics

Summary

journal-article

Community-wide evaluation of methods for predicting the effect of mutations on protein-protein interactions

Published by

Proteins: Structure, Function and Bioinformatics

Summary

journal-article

Two Distinct States of the HAMP Domain from Sensory Rhodopsin Transducer Observed in Unbiased Molecular Dynamics Simulations

Published by

PLoS ONE

Summary

journal-article

Two Distinct States of the HAMP Domain from Sensory Rhodopsin Transducer Observed in Unbiased Molecular Dynamics Simulations

Published by

PLoS ONE

Summary

journal-article

Two Distinct States of the HAMP Domain from Sensory Rhodopsin Transducer Observed in Unbiased Molecular Dynamics Simulations

Published by

PLoS ONE

Summary

journal-article

Ground state structure of D75N mutant of sensory rhodopsin II in complex with its cognate transducer

Published by

Journal of Photochemistry and Photobiology B: Biology

Summary

journal-article

Ground state structure of D75N mutant of sensory rhodopsin II in complex with its cognate transducer

Published by

Journal of Photochemistry and Photobiology B: Biology

Summary

journal-article

Ground state structure of D75N mutant of sensory rhodopsin II in complex with its cognate transducer

Published by

Journal of Photochemistry and Photobiology B: Biology

Summary

journal-article

Block-Adaptive Quantum Mechanics: An Adaptive Divide-and-Conquer Approach to Interactive Quantum Chemistry

Published by

Journal of Computational Chemistry

Summary

journal-article

Block-adaptive quantum mechanics: An adaptive divide-and-conquer approach to interactive quantum chemistry

Published by

Journal of Computational Chemistry

Summary

journal-article

Block-adaptive quantum mechanics: An adaptive divide-and-conquer approach to interactive quantum chemistry

Published by

Journal of Computational Chemistry

Summary

journal-article

A novel dimerization interface of cyclic nucleotide binding domain, which is disrupted in presence of cAMP: Implications for CNG channels gating

Published by

Journal of Molecular Modeling

Summary

journal-article

A novel dimerization interface of cyclic nucleotide binding domain, which is disrupted in presence of cAMP: Implications for CNG channels gating

Published by

Journal of Molecular Modeling

Summary

journal-article

Interactive physically-based structural modeling of hydrocarbon systems

Published by

Journal of Computational Physics

Summary

journal-article

Interactive physically-based structural modeling of hydrocarbon systems

Published by

Journal of Computational Physics

Summary

journal-article

Interactive physically-based structural modeling of hydrocarbon systems

Published by

Journal of Computational Physics

Summary

journal-article

A Novel Dimerization Interface of Cyclic Nucleotide Binding Domain, which is Disrupted in Presence of cAMP: Implications for CNG Channels Gating

Published by

Journal of Molecular Modeling

Summary

journal-article

Interactive quantum chemistry: A divide-and-conquer ASED-MO method

Published by

Journal of Computational Chemistry

Summary

journal-article

Interactive quantum chemistry: A divide-and-conquer ASED-MO method

Published by

Journal of Computational Chemistry

Summary

journal-article

Interactive quantum chemistry: A divide-and-conquer ASED-MO method

Published by

Journal of Computational Chemistry

Summary

journal-article

Whispering-gallery-mode resonators for miniature optical clocks

Summary

conference-paper

Active state of sensory rhodopsin II: Structural determinants for signal transfer and proton pumping

Published by

Journal of Molecular Biology

Summary

journal-article

A comparison of neighbor search algorithms for large rigid molecules

Published by

Journal of Computational Chemistry

Summary

journal-article

A comparison of neighbor search algorithms for large rigid molecules

Published by

Journal of Computational Chemistry

Summary

journal-article

A comparison of neighbor search algorithms for large rigid molecules

Published by

Journal of Computational Chemistry

Summary

journal-article

Active State of Sensory Rhodopsin II: Structural determinants for signal transfer and proton pumping

Published by

Journal of Molecular Biology

Summary

journal-article

Active state of sensory rhodopsin II: Structural determinants for signal transfer and proton pumping

Published by

Journal of Molecular Biology

Summary

journal-article

Fast construction of assembly trees for molecular graphs

Published by

Journal of Computational Chemistry

Summary

journal-article

Fast construction of assembly trees for molecular graphs

Published by

Journal of Computational Chemistry

Summary

journal-article

Fast construction of assembly trees for molecular graphs

Published by

Journal of Computational Chemistry

Summary

journal-article

Role of the HAMP domain region of sensory rhodopsin transducers in signal transduction

Published by

Biochemistry

Summary

journal-article

Role of the HAMP domain region of sensory rhodopsin transducers in signal transduction

Published by

Biochemistry

Summary

journal-article

Practical modeling of molecular systems with symmetries

Published by

Journal of Computational Chemistry

Summary

journal-article

Role of the HAMP Domain Region of Sensory Rhodopsin Transducers in Signal Transduction

Published by

Biochemistry

Summary

journal-article

Dynamical heterogeneity of specific amino acids in bacteriorhodopsin

Published by

Journal of Molecular Biology

Summary

journal-article

Dynamical Heterogeneity of Specific Amino Acids in Bacteriorhodopsin

Published by

Journal of Molecular Biology

Summary

journal-article

Dynamical Heterogeneity of Specific Amino Acids in Bacteriorhodopsin

Published by

Journal of Molecular Biology

Summary

journal-article

Changes in the level of poly(Phe) synthesis in Escherichia coli ribosomes containing mutants of L4 ribosomal protein from Thermus thermophilus can be explained by structural changes in the peptidyltransferase center: A molecular dynamics simulation analysis

Published by

European Biophysics Journal

Summary

journal-article

Changes in the level of poly(Phe) synthesis in Escherichia coli ribosomes containing mutants of L4 ribosomal protein from Thermus thermophilus can be explained by structural changes in the peptidyltransferase center: A molecular dynamics simulation analysis

Published by

European Biophysics Journal

Summary

journal-article

Water molecules and hydrogen-bonded networks in bacteriorhodopsin - Molecular dynamics simulations of the ground state and the M-intermediate

Published by

Biophysical Journal

Summary

journal-article

Water molecules and hydrogen-bonded networks in bacteriorhodopsin—molecular dynamics simulations of the ground state and the M-intermediate

Published by

Biophysical Journal

Summary

journal-article

Water molecules and hydrogen-bonded networks in bacteriorhodopsin - Molecular dynamics simulations of the ground state and the M-intermediate

Published by

Biophysical Journal

Summary

journal-article

Sergei Grudinin