Sergei Grudinin
TitleCited byYear
Advances in GPCR modeling evaluated by the GPCR Dock 2013 assessment: meeting new challenges
I Kufareva, V Katritch, RC Stevens, R Abagyan
Structure 22 (8), 1120-1139, 2014
1392014
Community‐wide evaluation of methods for predicting the effect of mutations on protein–protein interactions
R Moretti, SJ Fleishman, R Agius, M Torchala, PA Bates, PL Kastritis, ...
Proteins: Structure, Function, and Bioinformatics 81 (11), 1980-1987, 2013
882013
Prediction of homoprotein and heteroprotein complexes by protein docking and template‐based modeling: A CASP‐CAPRI experiment
MF Lensink, S Velankar, A Kryshtafovych, SY Huang, ...
Proteins: Structure, Function, and Bioinformatics 84, 323-348, 2016
852016
Water molecules and hydrogen-bonded networks in bacteriorhodopsin—molecular dynamics simulations of the ground state and the M-intermediate
S Grudinin, G Büldt, V Gordeliy, A Baumgaertner
Biophysical journal 88 (5), 3252-3261, 2005
572005
Mechanism of transmembrane signaling by sensor histidine kinases
I Gushchin, I Melnikov, V Polovinkin, A Ishchenko, A Yuzhakova, ...
Science 356 (6342), eaah6345, 2017
462017
Blind prediction of interfacial water positions in CAPRI
MF Lensink, IH Moal, PA Bates, PL Kastritis, ASJ Melquiond, E Karaca, ...
Proteins: Structure, Function, and Bioinformatics 82 (4), 620-632, 2014
402014
Dynamical heterogeneity of specific amino acids in bacteriorhodopsin
K Wood, S Grudinin, B Kessler, M Weik, M Johnson, GR Kneller, ...
Journal of molecular biology 380 (3), 581-591, 2008
392008
Active state of sensory rhodopsin II: structural determinants for signal transfer and proton pumping
I Gushchin, A Reshetnyak, V Borshchevskiy, A Ishchenko, E Round, ...
Journal of molecular biology 412 (4), 591-600, 2011
342011
Unique DC-SIGN clustering activity of a small glycomimetic: a lesson for ligand design
I Sutkeviciute, M Thépaut, S Sattin, A Berzi, J McGeagh, S Grudinin, ...
ACS chemical biology 9 (6), 1377-1385, 2014
322014
Interactive quantum chemistry: A divide‐and‐conquer ASED‐MO method
M Bosson, C Richard, A Plet, S Grudinin, S Redon
Journal of computational chemistry 33 (7), 779-790, 2012
292012
Practical modeling of molecular systems with symmetries
S Grudinin, S Redon
Journal of Computational Chemistry 31 (9), 1799-1814, 2010
272010
Pepsi-SAXS: an adaptive method for rapid and accurate computation of small-angle X-ray scattering profiles
S Grudinin, M Garkavenko, A Kazennov
Acta Crystallographica Section D: Structural Biology 73 (5), 449-464, 2017
262017
Interactive physically-based structural modeling of hydrocarbon systems
M Bosson, S Grudinin, X Bouju, S Redon
Journal of Computational Physics 231 (6), 2581-2598, 2012
262012
NOLB: Nonlinear rigid block normal-mode analysis method
A Hoffmann, S Grudinin
Journal of chemical theory and computation 13 (5), 2123-2134, 2017
242017
X-ray structure of a CDP-alcohol phosphatidyltransferase membrane enzyme and insights into its catalytic mechanism
P Nogly, I Gushchin, A Remeeva, AM Esteves, N Borges, P Ma, ...
Nature communications 5, 4169, 2014
242014
Deep convolutional networks for quality assessment of protein folds
G Derevyanko, S Grudinin, Y Bengio, G Lamoureux
Bioinformatics 34 (23), 4046-4053, 2018
232018
A comparison of neighbor search algorithms for large rigid molecules
S Artemova, S Grudinin, S Redon
Journal of Computational Chemistry 32 (13), 2865-2877, 2011
232011
Spherical polar Fourier assembly of protein complexes with arbitrary point group symmetry
DW Ritchie, S Grudinin
Journal of Applied Crystallography 49 (1), 158-167, 2016
192016
Two distinct states of the HAMP domain from sensory rhodopsin transducer observed in unbiased molecular dynamics simulations
I Gushchin, V Gordeliy, S Grudinin
PLoS One 8 (7), e66917, 2013
192013
Knowledge of native protein–protein interfaces is sufficient to construct predictive models for the selection of binding candidates
P Popov, S Grudinin
Journal of chemical information and modeling 55 (10), 2242-2255, 2015
182015
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Articles 1–20