Sergei Grudinin

42 papers A* 3Journal 37Unranked 1

Year	Rank	Type	Title / Venue / Authors
2026	J	`jnl`	SpecMoE: Spectral Mixture-of-Experts Foundation Model for Cross-Species EEG Decoding. CoRR Davy Darankoum, Chloe Habermacher, Julien Volle, Sergei Grudinin
2025	A*	`conf`	BAnG: Bidirectional Anchored Generation for Conditional RNA Design. ICML Roman Klypa, Alberto Bietti, Sergei Grudinin
2025	J	`jnl`	BAnG: Bidirectional Anchored Generation for Conditional RNA Design. CoRR Roman Klypa, Alberto Bietti, Sergei Grudinin
2025	J	`jnl`	Challenges in Non-Polymeric Crystal Structure Prediction: Why a Geometric, Permutation-Invariant Loss is Needed. CoRR Emmanuel Jehanno, Romain Menegaux, Julien Mairal, Sergei Grudinin
2025	J	`jnl`	CoSupFormer : A Contrastive Supervised learning approach for EEG signal Classification. CoRR Davy Darankoum, Chloe Habermacher, Julien Volle, Sergei Grudinin
2025	A*	`conf`	On the Fourier analysis in the SO(3) space : the EquiLoPO Network. ICLR Dmitrii Zhemchuzhnikov, Sergei Grudinin
2025	J	`jnl`	PETIMOT: A Novel Framework for Inferring Protein Motions from Sparse Data Using SE(3)-Equivariant Graph Neural Networks. CoRR Valentin Lombard, Sergei Grudinin, Elodie Laine
2024	J	`jnl`	From Epilepsy Seizures Classification to Detection: A Deep Learning-based Approach for Raw EEG Signals. CoRR Davy Darankoum, Manon Villalba, Clelia Allioux, Baptiste Caraballo, Carine Dumont, Eloise Gronlier, Corinne Roucard, Yann Roche, Chloe Habermacher, Sergei Grudinin, Julien Volle
2024	—	`conf`	ILPO-NET: Network for the Invariant Recognition of Arbitrary Volumetric Patterns in 3D. ECML/PKDD (4) Dmitrii Zhemchuzhnikov, Sergei Grudinin
2024	J	`jnl`	ILPO-NET: Network for the invariant recognition of arbitrary volumetric patterns in 3D. CoRR Dmitrii Zhemchuzhnikov, Sergei Grudinin
2024	—	`book`	New Challenges in Structural Bioinformatics: When Physics Meets Big Data. Sergei Grudinin
2024	J	`jnl`	On the Fourier analysis in the SO(3) space : EquiLoPO Network. CoRR Dmitrii Zhemchuzhnikov, Sergei Grudinin
2022	A*	`conf`	6DCNN with Roto-Translational Convolution Filters for Volumetric Data Processing. AAAI Dmitrii Zhemchuzhnikov, Ilia Igashov, Sergei Grudinin
2021	J	`jnl`	6DCNN with roto-translational convolution filters for volumetric data processing. CoRR Dmitrii Zhemchuzhnikov, Ilia Igashov, Sergei Grudinin
2021	J	`jnl`	KORP-PL: a coarse-grained knowledge-based scoring function for protein-ligand interactions. Bioinform. Maria Kadukova, Karina dos Santos Machado, Pablo Chacón, Sergei Grudinin
2021	J	`jnl`	Protein sequence-to-structure learning: Is this the end(-to-end revolution)? CoRR Elodie Laine, Stephan Eismann, Arne Elofsson, Sergei Grudinin
2021	J	`jnl`	Spherical convolutions on molecular graphs for protein model quality assessment. Mach. Learn. Sci. Technol. Ilia Igashov, Nikita Pavlichenko, Sergei Grudinin
2021	J	`jnl`	VoroCNN: deep convolutional neural network built on 3D Voronoi tessellation of protein structures. Bioinform. Ilia Igashov, Kliment Olechnovic, Maria Kadukova, Ceslovas Venclovas, Sergei Grudinin
2020	J	`jnl`	Combining molecular dynamics simulations with small-angle X-ray and neutron scattering data to study multi-domain proteins in solution. PLoS Comput. Biol. Andreas Haahr Larsen, Yong Wang, Sandro Bottaro, Sergei Grudinin, Lise Arleth, Kresten Lindorff-Larsen
2020	J	`jnl`	Docking rigid macrocycles using Convex-PL, AutoDock Vina, and RDKit in the D3R Grand Challenge 4. J. Comput. Aided Mol. Des. Maria Kadukova, Vladimir Chupin, Sergei Grudinin
2020	J	`jnl`	Spherical convolutions on molecular graphs for protein model quality assessment. CoRR Ilia Igashov, Nikita Pavlichenko, Sergei Grudinin
2019	J	`jnl`	Controlled-advancement rigid-body optimization of nanosystems. J. Comput. Chem. Petr Popov, Sergei Grudinin, Andrii Kurdiuk, Pavel Buslaev, Stephane Redon
2019	J	`jnl`	DeepSymmetry: using 3D convolutional networks for identification of tandem repeats and internal symmetries in protein structures. Bioinform. Guillaume Pagès, Sergei Grudinin
2019	J	`jnl`	Protein model quality assessment using 3D oriented convolutional neural networks. Bioinform. Guillaume Pagès, Benoit Charmettant, Sergei Grudinin
2019	J	`jnl`	Smooth orientation-dependent scoring function for coarse-grained protein quality assessment. Bioinform. Mikhail Karasikov, Guillaume Pagès, Sergei Grudinin
2018	J	`jnl`	Deep convolutional networks for quality assessment of protein folds. Bioinform. Georgy Derevyanko, Sergei Grudinin, Yoshua Bengio, Guillaume Lamoureux
2018	J	`jnl`	DeepSymmetry : Using 3D convolutional networks for identification of tandem repeats and internal symmetries in protein structures. CoRR Guillaume Pagès, Sergei Grudinin
2018	J	`jnl`	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. Maria Kadukova, Sergei Grudinin
2018	J	`jnl`	RapidRMSD: rapid determination of RMSDs corresponding to motions of flexible molecules. Bioinform. Émilie Neveu, Petr Popov, Alexandre Hoffmann, Angelo Migliosi, Xavier Besseron, Grégoire Danoy, Pascal Bouvry, Sergei Grudinin
2017	J	`jnl`	Convex-PL: a novel knowledge-based potential for protein-ligand interactions deduced from structural databases using convex optimization. J. Comput. Aided Mol. Des. Maria Kadukova, Sergei Grudinin
2016	J	`jnl`	Knodle: A Support Vector Machines-Based Automatic Perception of Organic Molecules from 3D Coordinates. J. Chem. Inf. Model. Maria Kadukova, Sergei Grudinin
2016	J	`jnl`	PEPSI-Dock: a detailed data-driven protein-protein interaction potential accelerated by polar Fourier correlation. Bioinform. Émilie Neveu, David W. Ritchie, Petr Popov, Sergei Grudinin
2016	J	`jnl`	Predicting Binding Poses and Affinities in the CSAR 2013-2014 Docking Exercises Using the Knowledge-Based Convex-PL Potential. J. Chem. Inf. Model. Sergei Grudinin, Petr Popov, Émilie Neveu, Georgy Cheremovskiy
2016	J	`jnl`	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. Sergei Grudinin, Maria Kadukova, Andreas Eisenbarth, Simon Marillet, Frédéric Cazals
2015	J	`jnl`	Knowledge of Native Protein-Protein Interfaces Is Sufficient To Construct Predictive Models for the Selection of Binding Candidates. J. Chem. Inf. Model. Petr Popov, Sergei Grudinin
2014	J	`jnl`	Rapid determination of RMSDs corresponding to macromolecular rigid body motions. J. Comput. Chem. Petr Popov, Sergei Grudinin
2013	J	`jnl`	Block-adaptive quantum mechanics: An adaptive divide-and-conquer approach to interactive quantum chemistry. J. Comput. Chem. Maël Bosson, Sergei Grudinin, Stephane Redon
2012	J	`jnl`	Interactive physically-based structural modeling of hydrocarbon systems. J. Comput. Phys. Maël Bosson, Sergei Grudinin, Xavier Bouju, Stephane Redon
2012	J	`jnl`	Interactive quantum chemistry: A divide-and-conquer ASED-MO method. J. Comput. Chem. Maël Bosson, Caroline Richard, Antoine Plet, Sergei Grudinin, Stephane Redon
2011	J	`jnl`	A comparison of neighbor search algorithms for large rigid molecules. J. Comput. Chem. Svetlana Artemova, Sergei Grudinin, Stephane Redon
2011	J	`jnl`	Fast construction of assembly trees for molecular graphs. J. Comput. Chem. Svetlana Artemova, Sergei Grudinin, Stephane Redon
2010	J	`jnl`	Practical modeling of molecular systems with symmetries. J. Comput. Chem. Sergei Grudinin, Stephane Redon