Sergei Grudinin

According to our database, Sergei Grudinin authored at least 29 papers between 2010 and 2024.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2024

On the Fourier analysis in the SO(3) space : EquiLoPO Network.

Dmitrii Zhemchuzhnikov, Sergei Grudinin

CoRR, 2024

ILPO-NET: Network for the invariant recognition of arbitrary volumetric patterns in 3D.

Dmitrii Zhemchuzhnikov, Sergei Grudinin

CoRR, 2024

2022

6DCNN with Roto-Translational Convolution Filters for Volumetric Data Processing.

Dmitrii Zhemchuzhnikov, Ilia Igashov, Sergei Grudinin

Proceedings of the Thirty-Sixth AAAI Conference on Artificial Intelligence, 2022

2021

Spherical convolutions on molecular graphs for protein model quality assessment.

Ilia Igashov, Nikita Pavlichenko, Sergei Grudinin

Mach. Learn. Sci. Technol., 2021

Protein sequence-to-structure learning: Is this the end(-to-end revolution)?

Elodie Laine, Stephan Eismann, Arne Elofsson, Sergei Grudinin

CoRR, 2021

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

Maria Kadukova, Karina dos Santos Machado, Pablo Chacón, Sergei Grudinin

Bioinform., 2021

VoroCNN: deep convolutional neural network built on 3D Voronoi tessellation of protein structures.

Ilia Igashov, Kliment Olechnovic, Maria Kadukova, Ceslovas Venclovas, Sergei Grudinin

Bioinform., 2021

2020

Combining molecular dynamics simulations with small-angle X-ray and neutron scattering data to study multi-domain proteins in solution.

Andreas Haahr Larsen, Yong Wang, Sandro Bottaro, Sergei Grudinin, Lise Arleth, Kresten Lindorff-Larsen

PLoS Comput. Biol., 2020

Docking rigid macrocycles using Convex-PL, AutoDock Vina, and RDKit in the D3R Grand Challenge 4.

Maria Kadukova, Vladimir Chupin, Sergei Grudinin

J. Comput. Aided Mol. Des., 2020

2019

Controlled-advancement rigid-body optimization of nanosystems.

Petr Popov, Sergei Grudinin, Andrii Kurdiuk, Pavel Buslaev, Stephane Redon

J. Comput. Chem., 2019

DeepSymmetry: using 3D convolutional networks for identification of tandem repeats and internal symmetries in protein structures.

Guillaume Pagès, Sergei Grudinin

Bioinform., 2019

Protein model quality assessment using 3D oriented convolutional neural networks.

Guillaume Pagès, Benoit Charmettant, Sergei Grudinin

Bioinform., 2019

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

Mikhail Karasikov, Guillaume Pagès, Sergei Grudinin

Bioinform., 2019

2018

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

J. Comput. Aided Mol. Des., 2018

RapidRMSD: rapid determination of RMSDs corresponding to motions of flexible molecules.

Émilie Neveu, Petr Popov, Alexandre Hoffmann, Angelo Migliosi, Xavier Besseron, Grégoire Danoy, Pascal Bouvry, Sergei Grudinin

Bioinform., 2018

Deep convolutional networks for quality assessment of protein folds.

Georgy Derevyanko, Sergei Grudinin, Yoshua Bengio, Guillaume Lamoureux

Bioinform., 2018

2017

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

Maria Kadukova, Sergei Grudinin

J. Comput. Aided Mol. Des., 2017

2016

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

Maria Kadukova, Sergei Grudinin

J. Chem. Inf. Model., 2016

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

Sergei Grudinin, Petr Popov, Émilie Neveu, Georgy Cheremovskiy

J. Chem. Inf. Model., 2016

Predicting binding poses and affinities for protein - ligand complexes in the 2015 D3R Grand Challenge using a physical model with a statistical parameter estimation.

Sergei Grudinin, Maria Kadukova, Andreas Eisenbarth, Simon Marillet, Frédéric Cazals

J. Comput. Aided Mol. Des., 2016

PEPSI-Dock: a detailed data-driven protein-protein interaction potential accelerated by polar Fourier correlation.

Émilie Neveu, David W. Ritchie, Petr Popov, Sergei Grudinin

Bioinform., 2016

2015

Knowledge of Native Protein-Protein Interfaces Is Sufficient To Construct Predictive Models for the Selection of Binding Candidates.

Petr Popov, Sergei Grudinin

J. Chem. Inf. Model., 2015

2014

Rapid determination of RMSDs corresponding to macromolecular rigid body motions.

Petr Popov, Sergei Grudinin

J. Comput. Chem., 2014

2013

Block-adaptive quantum mechanics: An adaptive divide-and-conquer approach to interactive quantum chemistry.

Maël Bosson, Sergei Grudinin, Stephane Redon

J. Comput. Chem., 2013

2012

Interactive physically-based structural modeling of hydrocarbon systems.

Maël Bosson, Sergei Grudinin, Xavier Bouju, Stephane Redon

J. Comput. Phys., 2012

Interactive quantum chemistry: A divide-and-conquer ASED-MO method.

Maël Bosson, Caroline Richard, Antoine Plet, Sergei Grudinin, Stephane Redon

J. Comput. Chem., 2012

2011

A comparison of neighbor search algorithms for large rigid molecules.

Svetlana Artemova, Sergei Grudinin, Stephane Redon

J. Comput. Chem., 2011

Fast construction of assembly trees for molecular graphs.

Svetlana Artemova, Sergei Grudinin, Stephane Redon

J. Comput. Chem., 2011

2010

Practical modeling of molecular systems with symmetries.

Sergei Grudinin, Stephane Redon

J. Comput. Chem., 2010