User profiles for Sergei Grudinin
Sergei GrudininLJK 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, …
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 …
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) …
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
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 …
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
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 …
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 …
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 …
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 …
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
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 …
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
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‐…
measure of the current state of predictive methodology. Here we describe a community‐…