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	Pour les 75 documents Envoyer sur ORCID RSS ATOM Exporter BibTeX XML-TEI CSV RTF EndNote PDF HTML Export avancé	Page : Page précédente 1 2 3 Page suivante	triés par 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

		Controlled‐advancement rigid‐body optimization of nanosystems Petr Popov , Sergei Grudinin , Andrii Kurdiuk , Pavel Buslaev , Stephane Redon Journal of Computational Chemistry, 2019, 40 (27), pp.2391-2399. ⟨10.1002/jcc.26016⟩ Article dans une revue hal-02315276v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Hydroxylation of antitubercular drug candidate, SQ109, by mycobacterial cytochrome P450 Sergey Bukhdruker , Tatsiana Varaksa , Irina Grabovec , Egor Marin , Polina Shabunya , et al. International Journal of Molecular Sciences, 2020, ⟨10.1101/2020.08.27.269936⟩ Article dans une revue hal-02931707v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		AnAnaS: Software for Analytical Analysis of Symmetries in Protein Structures Guillaume Pagès , Sergei Grudinin Protein Structure Prediction. Methods in Molecular Biology, pp.245-257, 2020, ⟨10.1007/978-1-0716-0708-4_14⟩ Chapitre d'ouvrage hal-02931690v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		KORP-PL: a coarse-grained knowledge-based scoring function for protein-ligand interactions Maria Kadukova , Karina dos Santos Machado , Pablo Chacón , Sergei Grudinin Bioinformatics, 2021, 37 (7), pp.943-950. ⟨10.1093/bioinformatics/btaa748⟩ Article dans une revue hal-02931666v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Convex-PL: a novel knowledge-based potential for protein-ligand interactions deduced from structural databases using convex optimization Maria Kadukova , Sergei Grudinin Journal of Computer-Aided Molecular Design, 2017, 31 (10), pp.943-958. ⟨10.1007/s10822-017-0068-8⟩ Article dans une revue hal-01591154v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		User Guide for AnAnaS : Analytical Analyzer of Symmetries Guillaume Pagès , Sergei Grudinin 2017 Pré-publication, Document de travail hal-01644987v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Spherical convolutions on molecular graphs for protein model quality assessment Ilia Igashov , Nikita Pavlichenko , Sergei Grudinin Machine Learning: Science and Technology, 2021, ⟨10.1088/2632-2153/abf856⟩ Article dans une revue hal-03006448v2	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Analytical symmetry detection in protein assemblies. II. Dihedral and Cubic symmetries Guillaume Pagès , Sergei Grudinin Journal of Structural Biology, 2018, 203 (3), pp.185-194. ⟨10.1016/j.jsb.2018.05.005⟩ Article dans une revue hal-01816449v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Ground state structure of D75N mutant of sensory rhodopsin II in complex with its cognate transducer Andrii Ishchenko , Ekaterina Round , Valentin Borshchevskiy , Sergei Grudinin , Ivan Yu. Gushchin , et al. Journal of Photochemistry and Photobiology B: Biology, 2013, 123, pp.55-58. ⟨10.1016/j.jphotobiol.2013.03.008⟩ Article dans une revue hal-00881553v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Pepsi-SAXS : an adaptive method for rapid and accurate computation of small-angle X-ray scattering profiles Sergei Grudinin , Maria Garkavenko , Andrei Kazennov Acta crystallographica Section D : Structural biology [1993-..], 2017, D73, pp.449 - 464. ⟨10.1107/S2059798317005745⟩ Article dans une revue hal-01516719v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Knodle: A Support Vector Machines-Based Automatic Perception of Organic Molecules from 3D Coordinates Maria Kadukova , Sergei Grudinin Journal of Chemical Information and Modeling, 2016, 56 (8), pp.1410-1419. ⟨10.1021/acs.jcim.5b00512⟩ Article dans une revue hal-01381010v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		New Insights on Signal Propagation by Sensory Rhodopsin II/Transducer Complex Andrii Ishchenko , Ekaterina Round , Valentin Borshchevskiy , Sergei Grudinin , Ivan Yu. Gushchin , et al. Scientific Reports, 2017, 7, pp.41811. ⟨10.1038/srep41811⟩ Article dans une revue hal-01458744v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Deep learning entering the post-protein structure prediction era : new horizons for structural biology Sergei Grudinin Acta Crystallographica Section A : Foundations and Advances [2014-..], 2021, A77 (C473), ⟨10.1107/S0108767321092138⟩ Article dans une revue hal-03874684v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Blind prediction of homo‐ and hetero‐ protein complexes: The CASP13‐CAPRI experiment Marc Lensink , Guillaume Brysbaert , Nurul Nadzirin , Sameer Velankar , Raphaël A.G. Chaleil , et al. Proteins - Structure, Function and Bioinformatics, 2019, 87 (12), pp.1200-1221. ⟨10.1002/prot.25838⟩ Article dans une revue hal-02320974v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Annotating Macromolecular Complexes in the Protein Data Bank: Improving the FAIRness of Structure Data Sri Devan Appasamy , John Berrisford , Romana Gaborova , Sreenath Nair , Sergei Grudinin , et al. Scientific Data , 2023, 10, pp.853. ⟨10.1038/s41597-023-02778-9⟩ Article dans une revue hal-04304774v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Unique DC-SIGN Clustering Activity of a Small Glycomimetic: A Lesson for Ligand Design Ieva Sutkeviciute , Michel Thépaut , Sara Sattin , Angela Berzi , John Mcgeagh , et al. ACS Chemical Biology, 2014, 9 (6), pp.1377-1385. ⟨10.1021/cb500054h⟩ Article dans une revue hal-01018565v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		User Guide for NOLB : Non-Linear Normal Mode Analysis Sergei Grudinin 2018 Pré-publication, Document de travail hal-01565129v3	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Fast construction of assembly trees for molecular graphs Svetlana Artemova , Sergei Grudinin , Stephane Redon Journal of Computational Chemistry, 2011, 32 (8), pp.1589-1598. ⟨10.1002/jcc.21738⟩ Article dans une revue istex hal-00746836v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Small angle X‐ray scattering‐assisted protein structure prediction in CASP13 and emergence of solution structure differences Greg Hura , Curtis Hodge , Daniel Rosenberg , Dmytro Guzenko , Jose Duarte , et al. Proteins - Structure, Function and Bioinformatics, 2019, Critical Assessment of Methods of Protein Structure Prediction (CASP) Special Issue, 87 (12), pp.1298-1314. ⟨10.1002/prot.25827⟩ Article dans une revue hal-02315292v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Protein model quality assessment using 3D oriented convolutional neural networks Guillaume Pagès , Benoit Charmettant , Sergei Grudinin Bioinformatics, 2019, 35 (18), pp.3313-3319. ⟨10.1093/bioinformatics/btz122⟩ Article dans une revue hal-01899468v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Blind prediction of interfacial water positions in CAPRI Marc F. Lensink , Aiain H. Moal , Paul A. Bates , Panagiotis L. Kastritis , Adrien S. J. Melquiond , et al. Proteins - Structure, Function and Bioinformatics, 2014, 82 (4), pp.620-632. ⟨10.1002/prot.24439⟩ Article dans une revue hal-00880345v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Mechanism of transmembrane signaling by sensor histidine kinases Ivan Yu. Gushchin , Igor I Melkinov , Vitaly Polovinkin , Andrii Ishchenko , Anastasia Yuzhakova , et al. Science, 2017, 356 (6342), pp.eaah6345. ⟨10.1126/science.aah6345⟩ Article dans une revue hal-01526454v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Rapid determination of RMSDs corresponding to macromolecular rigid body motions Petr Popov , Sergei Grudinin Journal of Computational Chemistry, 2014, 35 (12), pp.950-956. ⟨10.1002/jcc.23569⟩ Article dans une revue hal-00952248v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Predicting protein functional motions: an old recipe with a new twist Sergei Grudinin , Elodie Laine , Alexandre Hoffmann Biophysical Journal, 2020, 118 (10), pp.2513-2525. ⟨10.1016/j.bpj.2020.03.020⟩ Article dans une revue hal-02291552v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Interdomain Flexibility within NADPH Oxidase Suggested by SANS Using LMNG Stealth Carrier Annelise Vermot , Isabelle Petit-Härtlein , Cécile Breyton , Aline Le Roy , Michel Thépaut , et al. Biophysical Journal, 2020, 119 (3), pp.605-618. ⟨10.1016/j.bpj.2020.06.025⟩ Article dans une revue hal-02921448v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		HermiteFit: fast-fitting atomic structures into a low-resolution density map using three-dimensional orthogonal Hermite functions Georgy Derevyanko , Sergei Grudinin Acta crystallographica Section D : Structural biology [1993-..], 2014, 70 (8), pp.2069-2084. ⟨10.1107/S1399004714011493⟩ Article dans une revue istex hal-01078550v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Predicting Binding Poses and Affinities in the CSAR 2013―2014 Docking Exercises Using the Knowledge-Based Convex-PL Potential Sergei Grudinin , Petr Popov , Emilie Neveu , Georgy Cheremovskiy Journal of Chemical Information and Modeling, 2016, 56 (6), pp.1053-1062. ⟨10.1021/acs.jcim.5b00339⟩ Article dans une revue hal-01258022v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		6DCNN with roto-translational convolution filters for volumetric data processing Dmitrii Zhemchuzhnikov , Ilia Igashov , Sergei Grudinin The Thirty-Sixth AAAI Conference on Artificial Intelligence (AAAI-22), AAAI, Feb 2022, Vancouver, Canada. pp.4707-4715 Communication dans un congrès hal-03298699v2	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		A novel fast Fourier transform accelerated off-grid exhaustive search method for cryo-electron microscopy fitting Alexandre Hoffmann , Valérie Perrier , Sergei Grudinin Journal of Applied Crystallography, 2017, 50 (4), pp.1036-1047. ⟨10.1107/S1600576717008172⟩ Article dans une revue hal-01553293v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Principal component analysis of lipid molecule conformational changes in molecular dynamics simulations Pavel Buslaev , Valentin I. Gordeliy , Sergei Grudinin , Ivan Yu. Gushchin Journal of Chemical Theory and Computation, 2016, 12 (3), pp.1019-1028. ⟨10.1021/acs.jctc.5b01106⟩ Article dans une revue hal-01258167v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More

Filtrer vos résultats

Controlled‐advancement rigid‐body optimization of nanosystems

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

AnAnaS: Software for Analytical Analysis of Symmetries in Protein Structures

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

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

User Guide for AnAnaS : Analytical Analyzer of Symmetries

Spherical convolutions on molecular graphs for protein model quality assessment

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

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

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

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

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

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

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

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

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

User Guide for NOLB : Non-Linear Normal Mode Analysis

Fast construction of assembly trees for molecular graphs

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

Protein model quality assessment using 3D oriented convolutional neural networks

Blind prediction of interfacial water positions in CAPRI

Mechanism of transmembrane signaling by sensor histidine kinases

Rapid determination of RMSDs corresponding to macromolecular rigid body motions

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

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

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

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

6DCNN with roto-translational convolution filters for volumetric data processing

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

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