Sergei Grudinin

Publication Activity (10 Years)

Years Active: 2010-2024
Publications (10 Years): 25

Top Topics

Convolutional Neural Network

Quality Assessment

Protein Structure

Grand Challenge

Top Venues

J. Comput. Aided Mol. Des.

J. Chem. Inf. Model.

Publications

Dmitrii Zhemchuzhnikov, Sergei Grudinin
ILPO-NET: Network for the invariant recognition of arbitrary volumetric patterns in 3D. CoRR (2024)
Dmitrii Zhemchuzhnikov, Sergei Grudinin
On the Fourier analysis in the SO(3) space : EquiLoPO Network. CoRR (2024)
Dmitrii Zhemchuzhnikov, Ilia Igashov, Sergei Grudinin
6DCNN with Roto-Translational Convolution Filters for Volumetric Data Processing. AAAI (2022)
Ilia Igashov, Kliment Olechnovic, Maria Kadukova, Ceslovas Venclovas, Sergei Grudinin
VoroCNN: deep convolutional neural network built on 3D Voronoi tessellation of protein structures. Bioinform. 37 (16) (2021)
Maria Kadukova, Karina dos Santos Machado, Pablo Chacón, Sergei Grudinin
KORP-PL: a coarse-grained knowledge-based scoring function for protein-ligand interactions. Bioinform. 37 (7) (2021)
Ilia Igashov, Nikita Pavlichenko, Sergei Grudinin
Spherical convolutions on molecular graphs for protein model quality assessment. Mach. Learn. Sci. Technol. 2 (4) (2021)
Dmitrii Zhemchuzhnikov, Ilia Igashov, Sergei Grudinin
6DCNN with roto-translational convolution filters for volumetric data processing. CoRR (2021)
Elodie Laine, Stephan Eismann, Arne Elofsson, Sergei Grudinin
Protein sequence-to-structure learning: Is this the end(-to-end revolution)? CoRR (2021)
Andreas Haahr Larsen, Yong Wang, Sandro Bottaro, Sergei Grudinin, Lise Arleth, Kresten Lindorff-Larsen
Combining molecular dynamics simulations with small-angle X-ray and neutron scattering data to study multi-domain proteins in solution. PLoS Comput. Biol. 16 (4) (2020)
Ilia Igashov, Nikita Pavlichenko, Sergei Grudinin
Spherical convolutions on molecular graphs for protein model quality assessment. CoRR (2020)
Maria Kadukova, Vladimir Chupin, Sergei Grudinin
Docking rigid macrocycles using Convex-PL, AutoDock Vina, and RDKit in the D3R Grand Challenge 4. J. Comput. Aided Mol. Des. 34 (2) (2020)
Mikhail Karasikov, Guillaume Pagès, Sergei Grudinin
Smooth orientation-dependent scoring function for coarse-grained protein quality assessment. Bioinform. 35 (16) (2019)
Petr Popov, Sergei Grudinin, Andrii Kurdiuk, Pavel Buslaev, Stephane Redon
Controlled-advancement rigid-body optimization of nanosystems. J. Comput. Chem. 40 (27) (2019)
Guillaume Pagès, Sergei Grudinin
DeepSymmetry: using 3D convolutional networks for identification of tandem repeats and internal symmetries in protein structures. Bioinform. 35 (24) (2019)
Guillaume Pagès, Benoit Charmettant, Sergei Grudinin
Protein model quality assessment using 3D oriented convolutional neural networks. Bioinform. 35 (18) (2019)
Guillaume Pagès, Sergei Grudinin
DeepSymmetry : Using 3D convolutional networks for identification of tandem repeats and internal symmetries in protein structures. CoRR (2018)
Georgy Derevyanko, Sergei Grudinin, Yoshua Bengio, Guillaume Lamoureux
Deep convolutional networks for quality assessment of protein folds. Bioinform. 34 (23) (2018)
Maria Kadukova, Sergei Grudinin
Docking of small molecules to farnesoid X receptors using AutoDock Vina with the Convex-PL potential: lessons learned from D3R Grand Challenge 2. J. Comput. Aided Mol. Des. 32 (1) (2018)
Émilie Neveu, Petr Popov, Alexandre Hoffmann, Angelo Migliosi, Xavier Besseron, Grégoire Danoy, Pascal Bouvry, Sergei Grudinin
RapidRMSD: rapid determination of RMSDs corresponding to motions of flexible molecules. Bioinform. 34 (16) (2018)
Maria Kadukova, Sergei Grudinin
Convex-PL: a novel knowledge-based potential for protein-ligand interactions deduced from structural databases using convex optimization. J. Comput. Aided Mol. Des. 31 (10) (2017)
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. J. Comput. Aided Mol. Des. 30 (9) (2016)
Maria Kadukova, Sergei Grudinin
Knodle: A Support Vector Machines-Based Automatic Perception of Organic Molecules from 3D Coordinates. J. Chem. Inf. Model. 56 (8) (2016)
Émilie Neveu, David W. Ritchie, Petr Popov, Sergei Grudinin
PEPSI-Dock: a detailed data-driven protein-protein interaction potential accelerated by polar Fourier correlation. Bioinform. 32 (17) (2016)
Sergei Grudinin, Petr Popov, Émilie Neveu, Georgy Cheremovskiy
Predicting Binding Poses and Affinities in the CSAR 2013-2014 Docking Exercises Using the Knowledge-Based Convex-PL Potential. J. Chem. Inf. Model. 56 (6) (2016)
Petr Popov, Sergei Grudinin
Knowledge of Native Protein-Protein Interfaces Is Sufficient To Construct Predictive Models for the Selection of Binding Candidates. J. Chem. Inf. Model. 55 (10) (2015)
Petr Popov, Sergei Grudinin
Rapid determination of RMSDs corresponding to macromolecular rigid body motions. J. Comput. Chem. 35 (12) (2014)
Maël Bosson, Sergei Grudinin, Stephane Redon
Block-adaptive quantum mechanics: An adaptive divide-and-conquer approach to interactive quantum chemistry. J. Comput. Chem. 34 (6) (2013)
Maël Bosson, Caroline Richard, Antoine Plet, Sergei Grudinin, Stephane Redon
Interactive quantum chemistry: A divide-and-conquer ASED-MO method. J. Comput. Chem. 33 (7) (2012)
Maël Bosson, Sergei Grudinin, Xavier Bouju, Stephane Redon
Interactive physically-based structural modeling of hydrocarbon systems. J. Comput. Phys. 231 (6) (2012)
Svetlana Artemova, Sergei Grudinin, Stephane Redon
A comparison of neighbor search algorithms for large rigid molecules. J. Comput. Chem. 32 (13) (2011)
Svetlana Artemova, Sergei Grudinin, Stephane Redon
Fast construction of assembly trees for molecular graphs. J. Comput. Chem. 32 (8) (2011)
Sergei Grudinin, Stephane Redon
Practical modeling of molecular systems with symmetries. J. Comput. Chem. 31 (9) (2010)