User profiles for Sergei Grudinin

Sergei Grudinin

LJK CNRS, Grenoble, France
Verified email at inria.fr
Cited by 2612

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

…, A Karczynska, S Grudinin… - Proteins: Structure …, 2021 - Wiley Online Library
We present the results for CAPRI Round 50, the fourth joint CASP‐CAPRI protein assembly
prediction challenge. The Round comprised a total of twelve targets, including six dimers, …

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

S Grudinin, M Garkavenko… - … Section D: Structural …, 2017 - scripts.iucr.org
A new method called Pepsi-SAXS is presented that calculates small-angle X-ray scattering
profiles from atomistic models. The method is based on the multipole expansion scheme and …

NOLB: Nonlinear rigid block normal-mode analysis method

A Hoffmann, S Grudinin - Journal of chemical theory and …, 2017 - ACS Publications
We present a new conceptually simple and computationally efficient method for nonlinear
normal-mode analysis called NOLB. It relies on the rotations-translations of blocks (RTB) …

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

AH Larsen, Y Wang, S Bottaro, S Grudinin… - PLoS computational …, 2020 - journals.plos.org
Many proteins contain multiple folded domains separated by flexible linkers, and the ability
to describe the structure and conformational heterogeneity of such flexible systems pushes …

Prediction of homoprotein and heteroprotein complexes by protein docking and template‐based modeling: a CASP‐CAPRI experiment

…, S Viswanath, R Elber, S Grudinin… - Proteins: Structure …, 2016 - Wiley Online Library
We present the results for CAPRI Round 30, the first joint CASP‐CAPRI experiment, which
brought together experts from the protein structure prediction and protein–protein docking …

Mechanism of transmembrane signaling by sensor histidine kinases

…, A Yuzhakova, P Buslaev, G Bourenkov, S Grudinin… - Science, 2017 - science.org
INTRODUCTION Microorganisms obtain most of the information about their environments
through membrane-associated signaling systems. One of the most abundant classes of …

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

…, E Laine, A Carbone, S Grudinin… - Proteins: Structure …, 2019 - Wiley Online Library
We present the results for CAPRI Round 46, the third joint CASP‐CAPRI protein assembly
prediction challenge. The Round comprised a total of 20 targets including 14 homo‐oligomers …

Deep convolutional networks for quality assessment of protein folds

G Derevyanko, S Grudinin, Y Bengio… - …, 2018 - academic.oup.com
Motivation The computational prediction of a protein structure from its sequence generally
relies on a method to assess the quality of protein models. Most assessment methods rank …

Protein model quality assessment using 3D oriented convolutional neural networks

G Pagès, B Charmettant, S Grudinin - Bioinformatics, 2019 - academic.oup.com
Motivation Protein model quality assessment (QA) is a crucial and yet open problem in structural
bioinformatics. The current best methods for single-model QA typically combine results …

Community‐wide evaluation of methods for predicting the effect of mutations on protein–protein interactions

…, JJ Gray, P Popov, S Grudinin… - Proteins: Structure …, 2013 - Wiley Online Library
Community‐wide blind prediction experiments such as CAPRI and CASP provide an objective
measure of the current state of predictive methodology. Here we describe a community‐…