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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
		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
		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
		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
		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
		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
		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
		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
		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
		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
		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
		Spherical polar Fourier assembly of protein complexes with arbitrary point group symmetry David W. Ritchie , Sergei Grudinin Journal of Applied Crystallography, 2016, 49 (1), pp.158-167. ⟨10.1107/S1600576715022931⟩ Article dans une revue hal-01261402v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		DockTrina: Docking triangular protein trimers Petr Popov , David Ritchie , Sergei Grudinin Proteins: Structure, Function, and Genetics, 2014, 82 (1), pp.34-44. ⟨10.1002/prot.24344⟩ Article dans une revue hal-00880359v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Smooth orientation-dependent scoring function for coarse-grained protein quality assessment Mikhail Karasikov , Guillaume Pagès , Sergei Grudinin Bioinformatics, 2019, 35 (16), pp.2801-2808. ⟨10.1093/bioinformatics/bty1037⟩ Article dans une revue hal-01971128v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Water molecules and hydrogen-bonded networks in bacteriorhodopsinmolecular dynamics simulations of the ground state and the M-intermediate Sergei Grudinin , Georg Büldt , Valentin Gordeliy , Artur Baumgaertner Biophysical Journal, 2005, 88 (5), pp.3252--3261. ⟨10.1529/biophysj.104.047993⟩ Article dans une revue hal-01148776v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Interactive physically-based structural modeling of hydrocarbon systems Maël Bosson , Sergei Grudinin , Xavier Bouju , Stephane Redon Journal of Computational Physics, 2012, 231 (6), pp.2581-2598. ⟨10.1016/j.jcp.2011.12.006⟩ Article dans une revue hal-00755542v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Prediction of protein assemblies, the next frontier: The CASP14‐CAPRI experiment Marc Lensink , Guillaume Brysbaert , Théo Mauri , Nurul Nadzirin , Sameer Velankar , et al. Proteins - Structure, Function and Bioinformatics, 2021, 89 (12), pp.1800-1823. ⟨10.1002/prot.26222⟩ Article dans une revue hal-03448743v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Session introduction: AI-driven Advances in Modeling of Protein Structure Krzysztof Fidelis , Sergei Grudinin Pacific Symposium on Biocomputing 2022, Jan 2022, Fairmont Orchid - Hawaii, United States Communication dans un congrès hal-03874552v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Explaining Conformational Diversity in Protein Families through Molecular Motions Valentin Lombard , Sergei Grudinin , Elodie Laine 2024 Pré-publication, Document de travail hal-04442287v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		HOPMA: Boosting protein functional dynamics with colored contact maps Elodie Laine , Sergei Grudinin Journal of Physical Chemistry B, 2021, 125 (10), pp.2577-2588. ⟨10.1021/acs.jpcb.0c11633⟩ Article dans une revue hal-03091790v1	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

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

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

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

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

User Guide for NOLB : Non-Linear Normal Mode Analysis

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

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

Fast construction of assembly trees for molecular graphs

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

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

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

DockTrina: Docking triangular protein trimers

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

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

Interactive physically-based structural modeling of hydrocarbon systems

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

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

Explaining Conformational Diversity in Protein Families through Molecular Motions

HOPMA: Boosting protein functional dynamics with colored contact maps