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	1 2	Pertinence Auteur A→Z Auteur Z→A Titre A→Z Titre Z→A Date de publication croissante Date de publication décroissante Date de dépôt croissante Date de dépôt décroissante 30 résultats par page 50 résultats par page 100 résultats par page Pour les 34 documents Exporter XML-TEI BibTeX EndNote CSV PDF Export avancé... Syndication RSS ATOM
	hal-01419374v2 Communication dans un congrès Andrii Riazanov, Mikhail Karasikov, Sergei Grudinin. Inverse Protein Folding Problem via Quadratic Programming Information Technology and Systems 2016, Sep 2016, Repino, St. Petersburg, Russia. pp.561-568, <http://itas2016.iitp.ru/en/>
	hal-01078660v1 Article dans une revue Irina Kufareva, Vsevolod Katritch, Sergei Grudinin, Raymond C Stevens, Ruben Abagyan. Advances in GPCR Modeling Evaluated by the GPCR Dock 2013 Assessment: Meeting New Challenges Structure, 2014, 22 (8), pp.1120-1139. <10.1016/j.str.2014.06.012>
	hal-00881143v1 Article dans une revue Ivan Yu. Gushchin, Valentin I. Gordeliy, Sergei Grudinin. Two Distinct States of the HAMP Domain from Sensory Rhodopsin Transducer Observed in Unbiased Molecular Dynamics Simulations PLoS ONE, Public Library of Science, 2013, 8 (7), pp.e66917. <10.1371/journal.pone.0066917>
	hal-01505843v2 Article dans une revue Alexandre Hoffmann, Sergei Grudinin. NOLB: Nonlinear Rigid Block Normal Mode Analysis Method Journal of Chemical Theory and Computation, American Chemical Society, 2017, 13 (5), pp.2123-2134. <10.1021/acs.jctc.7b00197>
	hal-01377738v1 Article dans une revue Sergei Grudinin, Maria Kadukova, Andreas Eisenbarth, Simon Marillet, Frédéric Cazals. Predicting binding poses and affinities for protein-ligand complexes in the 2015 D3R Grand Challenge using a physical model with a statistical parameter estimation Journal of Computer-Aided Molecular Design, Springer Verlag, 2016, 30 (9), pp.791-804. <10.1007/s10822-016-9976-2>
	hal-01258167v1 Article dans une revue Pavel Buslaev, Valentin I. Gordeliy, Sergei Grudinin, Ivan Yu. Gushchin. Principal component analysis of lipid molecule conformational changes in molecular dynamics simulations Journal of Chemical Theory and Computation, American Chemical Society, 2016, 12 (3), pp.1019-1028. <10.1021/acs.jctc.5b01106>
	hal-00755542v1 Article dans une revue Maël Bosson, Sergei Grudinin, Xavier Bouju, Stephane Redon. Interactive physically-based structural modeling of hydrocarbon systems Journal of Computational Physics, Elsevier, 2012, 231 (6), pp.2581-2598. <10.1016/j.jcp.2011.12.006>
	hal-00952248v1 Article dans une revue Petr Popov, Sergei Grudinin. Rapid determination of RMSDs corresponding to macromolecular rigid body motions Journal of Computational Chemistry, Wiley, 2014, 35 (12), pp.950-956. <10.1002/jcc.23569>
	hal-00748028v1 Article dans une revue Sergei Grudinin, Stephane Redon. Practical modeling of molecular systems with symmetries Journal of Computational Chemistry, Wiley, 2010, 31 (9), pp.1799-1814. <10.1002/jcc.21434>
	hal-00748053v1 Article dans une revue Svetlana Artemova, Sergei Grudinin, Stephane Redon. A comparison of neighbor search algorithms for large rigid molecules Journal of Computational Chemistry, Wiley, 2011, 32 (13), pp.2865-2877. <10.1002/jcc.21868>
	hal-00755498v1 Article dans une revue Maël Bosson, Caroline Richard, Antoine Plet, Sergei Grudinin, Stephane Redon. Interactive quantum chemistry: A divide-and-conquer ASED-MO method Journal of Computational Chemistry, Wiley, 2012, 33 (7), pp.779-790. <10.1002/jcc.22905>
	hal-00755521v1 Article dans une revue Maël Bosson, Sergei Grudinin, Stephane Redon. Block-Adaptive Quantum Mechanics: An Adaptive Divide-and-Conquer Approach to Interactive Quantum Chemistry Journal of Computational Chemistry, Wiley, 2013, 34 (6), pp.492-504. <10.1002/jcc.23157>
	hal-00746836v1 Article dans une revue Svetlana Artemova, Sergei Grudinin, Stephane Redon. Fast construction of assembly trees for molecular graphs Journal of Computational Chemistry, Wiley, 2011, 32 (8), pp.1589-1598. <10.1002/jcc.21738>
	hal-01261402v1 Article dans une revue David Ritchie, Sergei Grudinin. Spherical polar Fourier assembly of protein complexes with arbitrary point group symmetry Journal of Applied Crystallography, International Union of Crystallography, 2016, 49 (1), pp.158-167. <10.1107/S1600576715022931>
	hal-01516719v1 Article dans une revue Sergei Grudinin, Maria Garkavenko, Andrei Kazennov. Pepsi-SAXS : an adaptive method for rapid and accurate computation of small-angle X-ray scattering profiles Acta Cryst., 2017, D73, pp.449 - 464. <10.1107/S2059798317005745>
	hal-00880359v1 Article dans une revue Petr Popov, David Ritchie, Sergei Grudinin. DockTrina: Docking triangular protein trimers Proteins: Structure, Function, and Genetics, Wiley, 2014, 82 (1), pp.34-44. <10.1002/prot.24344>
	hal-01388654v1 Article dans une revue Marwa El Houasli, Bernard Maigret, Marie-Dominique Devignes, Anisah Ghoorah, Sergei Grudinin et al. Modeling and minimizing CAPRI round 30 symmetrical protein complexes from CASP-11 structural models Proteins: Structure, Function, and Genetics, Wiley, 2017, Special Issue: Sixth Meeting on the Critical Assessment of Predicted Interactions 85 (3), pp.463-469. <10.1002/prot.25182>
	hal-00766015v1 Article dans une revue Ivan Yu. Gushchin, Valentin I. Gordeliy, Sergei Grudinin. A Novel Dimerization Interface of Cyclic Nucleotide Binding Domain, which is Disrupted in Presence of cAMP: Implications for CNG Channels Gating Journal of Molecular Modeling, Springer Verlag (Germany), 2012, 18 (9), pp.4053-4060. <10.1007/s00894-012-1404-5>
	hal-01419380v2 Communication dans un congrès Roman Pogodin, Alexander Katrutsa, Sergei Grudinin. Quadratic Programming Approach to Fit Protein Complexes into Electron Density Maps Information Technology and Systems 2016, Sep 2016, Repino, St. Petersburg, Russia. pp.576-582, 2016
	hal-00905794v1 Article dans une revue Rocco Moretti, Sarel J Fleishman, Rudi Agius, Mieczyslaw Torchala, Paul A. Bates et al. Community-wide evaluation of methods for predicting the effect of mutations on protein-protein interactions Proteins - Structure, Function and Bioinformatics, Wiley, 2013, 81 (11), pp.1980 - 1987. <10.1002/prot.24356>
	hal-00880345v1 Article dans une revue Marc F. Lensink, Aiain H. Moal, Paul A. Bates, Panagiotis L. Kastritis, Adrien S. J. Melquiond et al. Blind prediction of interfacial water positions in CAPRI Proteins - Structure, Function and Bioinformatics, Wiley, 2014, 82 (4), pp.620-632. <10.1002/prot.24439>
	hal-01309105v1 Article dans une revue Marc F. Lensink, Sameer Velankar, Andriy Kryshtafovych, Shen-You Huang, Dina Schneidman-Duhovy et al. Prediction of homo- and hetero-protein complexes by protein docking and template-based modeling: a CASP-CAPRI experiment Proteins - Structure, Function and Bioinformatics, Wiley, 2016, Special Issue: Eleventh Meeting on the Critical Assessment of Techniques for Protein Structure Prediction, 84 (S1), pp.323-348 <10.1002/prot.25007>
	hal-01458744v1 Article dans une revue Andrii Ishchenko, Ekaterina Round, Valentin Borshchevskiy, Sergei Grudinin, Ivan Yu. Gushchin et al. New Insights on Signal Propagation by Sensory Rhodopsin II/Transducer Complex Scientific Reports, Nature Publishing Group, 2017, 7, pp.41811. <10.1038/srep41811>
	hal-00766090v1 Article dans une revue Ivan Yu. Gushchin, Anastasia Reshetnyak, Valentin Borshchevskiy, Andrii Ishchenko, Ekaterina Round et al. Active State of Sensory Rhodopsin II: Structural determinants for signal transfer and proton pumping Journal of Molecular Biology, Elsevier, 2011, 412 (4), pp.591-600. <10.1016/j.jmb.2011.07.022>
	hal-01078550v1 Article dans une revue Georgy Derevyanko, Sergei Grudinin. HermiteFit: fast-fitting atomic structures into a low-resolution density map using three-dimensional orthogonal Hermite functions Acta Crystallographica Section D: Biological Crystallography, International Union of Crystallography, 2014, 70 (8), pp.2069-2084. <10.1107/S1399004714011493>
	hal-01018565v1 Article dans une revue Ieva Sutkeviciute, Michel Thépaut, Sara Sattin, Angela Berzi, John Mcgeagh et al. Unique DC-SIGN Clustering Activity of a Small Glycomimetic: A Lesson for Ligand Design ACS Chemical Biology, American Chemical Society, 2014, 9 (6), pp.1377-1385. <10.1021/cb500054h>
	hal-01526454v1 Article dans une revue Ivan Gushchin, Igor Melkinov, Vitaly Polovinkin, Andrii Ishchenko, Anastasia Yuzhakova et al. Mechanism of transmembrane signaling by sensor histidine kinases Science, American Association for the Advancement of Science, 2017, 356 (6342), pp.eaah6345. <10.1126/science.aah6345>
	hal-01018657v1 Article dans une revue Przemyslaw Nogly, Ivan Yu. Gushchin, Alina Remeeva, Ana M. Esteves, Nuno Borges et al. X-ray structure of a CDP-alcohol phosphatidyltransferase membrane enzyme and insights into its catalytic mechanism Nature Communications, Nature Publishing Group, 2014, 5, pp.Article number: 4169. <10.1038/ncomms5169>
	hal-01358645v1 Article dans une revue Emilie Neveu, David Ritchie, Petr Popov, Sergei Grudinin. PEPSI-Dock: a detailed data-driven protein–protein interaction potential accelerated by polar Fourier correlation Bioinformatics, Oxford University Press (OUP), 2016, 32 (7), pp.i693-i701. <10.1093/bioinformatics/btw443>
	hal-00784550v1 Article dans une revue Ivan Yu. Gushchin, Valentin I. Gordeliy, Sergei Grudinin. Role of the HAMP Domain Region of Sensory Rhodopsin Transducers in Signal Transduction Biochemistry, American Chemical Society, 2010, 50 (4), pp.574-580. <10.1021/bi101032a>
	1 2	Pertinence Auteur A→Z Auteur Z→A Titre A→Z Titre Z→A Date de publication croissante Date de publication décroissante Date de dépôt croissante Date de dépôt décroissante 30 résultats par page 50 résultats par page 100 résultats par page Pour les 34 documents Exporter XML-TEI BibTeX EndNote CSV PDF Export avancé... Syndication RSS ATOM

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