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User Guide for NOLB : Non-Linear Normal Mode Analysis
Sergei Grudinin
2018
Pré-publication, Document de travail
hal-01565129v3
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Deep learning entering the post-protein structure prediction era : new horizons for structural biology
Sergei Grudinin
Article dans une revue
hal-03874684v1
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Analytical symmetry detection in protein assemblies. II. Dihedral and Cubic symmetries
Guillaume Pagès
,
Sergei Grudinin
Article dans une revue
hal-01816449v1
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Knodle: A Support Vector Machines-Based Automatic Perception of Organic Molecules from 3D Coordinates
Maria Kadukova
,
Sergei Grudinin
Article dans une revue
hal-01381010v1
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Convex-PL: a novel knowledge-based potential for protein-ligand interactions deduced from structural databases using convex optimization
Maria Kadukova
,
Sergei Grudinin
Article dans une revue
hal-01591154v1
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User Guide for AnAnaS : Analytical Analyzer of Symmetries
Guillaume Pagès
,
Sergei Grudinin
2017
Pré-publication, Document de travail
hal-01644987v1
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Pepsi-SAXS : an adaptive method for rapid and accurate computation of small-angle X-ray scattering profiles
Sergei Grudinin
,
Maria Garkavenko
,
Andrei Kazennov
Article dans une revue
hal-01516719v1
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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
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HOPMA: Boosting protein functional dynamics with colored contact maps
Elodie Laine
,
Sergei Grudinin
Article dans une revue
hal-03091790v1
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HermiteFit: fast-fitting atomic structures into a low-resolution density map using three-dimensional orthogonal Hermite functions
Georgy Derevyanko
,
Sergei Grudinin
Article dans une revue
istex
hal-01078550v1
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Rapid determination of RMSDs corresponding to macromolecular rigid body motions
Petr Popov
,
Sergei Grudinin
Article dans une revue
hal-00952248v1
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Knowledge of Native Protein–Protein Interfaces Is Sufficient To Construct Predictive Models for the Selection of Binding Candidates
Petr Popov
,
Sergei Grudinin
Article dans une revue
hal-01229886v1
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Pepsi-SAXS/SANS -small-angle scattering-guided tools for integrative structural bioinformatics
Sergei Grudinin
,
Anne Martel
,
Sylvain Prevost
Article dans une revue
hal-03874671v1
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Eurecon: Equidistant Uniform Rigid-body Ensemble Constructor
Petr Popov
,
Sergei Grudinin
Article dans une revue
hal-01702810v1
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NOLB: Nonlinear Rigid Block Normal Mode Analysis Method
Alexandre Hoffmann
,
Sergei Grudinin
Article dans une revue
hal-01505843v2
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Docking of small molecules to farnesoid X receptors using AutoDock Vina with the Convex-PL potential: lessons learned from D3R Grand Challenge 2
Maria Kadukova
,
Sergei Grudinin
Article dans une revue
hal-01591157v1
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Voronota-LT: efficient, flexible and solvent-aware tessellation-based analysis of atomic interactions
Kliment Olechnovič
,
Sergei Grudinin
2024
Pré-publication, Document de travail
hal-04438320v1
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Practical modeling of molecular systems with symmetries
Sergei Grudinin
,
Stephane Redon
Article dans une revue
istex
hal-00748028v1
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Spherical polar Fourier assembly of protein complexes with arbitrary point group symmetry
David W. Ritchie
,
Sergei Grudinin
Article dans une revue
hal-01261402v1
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Fast construction of assembly trees for molecular graphs
Svetlana Artemova
,
Sergei Grudinin
,
Stephane Redon
Article dans une revue
istex
hal-00746836v1
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A novel fast Fourier transform accelerated off-grid exhaustive search method for cryo-electron microscopy fitting
Alexandre Hoffmann
,
Valérie Perrier
,
Sergei Grudinin
Article dans une revue
hal-01553293v1
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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
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DockTrina: Docking triangular protein trimers
Petr Popov
,
David Ritchie
,
Sergei Grudinin
Article dans une revue
hal-00880359v1
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Explaining Conformational Diversity in Protein Families through Molecular Motions
Valentin Lombard
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Sergei Grudinin
,
Elodie Laine
2024
Pré-publication, Document de travail
hal-04442287v1
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Analytical symmetry detection in protein assemblies. I. Cyclic symmetries
Guillaume Pagès
,
Elvira Kinzina
,
Sergei Grudinin
Article dans une revue
hal-01779893v1
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Block-Adaptive Quantum Mechanics: An Adaptive Divide-and-Conquer Approach to Interactive Quantum Chemistry
Maël Bosson
,
Sergei Grudinin
,
Stephane Redon
Article dans une revue
istex
hal-00755521v1
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Convex-PL-R - Revisiting affinity predictions and virtual screening using physics-informed machine learning
Maria Kadukova
,
Vladimir Chupin
,
Sergei Grudinin
2021
Pré-publication, Document de travail
hal-03342508v1
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Inverse Protein Folding Problem via Quadratic Programming
Andrii Riazanov
,
Mikhail Karasikov
,
Sergei Grudinin
Information Technology and Systems 2016, Sep 2016, Repino, St. Petersburg, Russia. pp.561-568
Communication dans un congrès
hal-01419374v2
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Quadratic Programming Approach to Fit Protein Complexes into Electron Density Maps
Roman Pogodin
,
Alexander Katrutsa
,
Sergei Grudinin
Information Technology and Systems 2016, Sep 2016, Repino, St. Petersburg, Russia. pp.576-582
Communication dans un congrès
hal-01419380v2
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A comparison of neighbor search algorithms for large rigid molecules
Svetlana Artemova
,
Sergei Grudinin
,
Stephane Redon
Article dans une revue
istex
hal-00748053v1
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