Detalhe da pesquisa
1.
UNRES-Dock-protein-protein and peptide-protein docking by coarse-grained replica-exchange MD simulations.
Bioinformatics
; 37(11): 1613-1615, 2021 07 12.
Artigo
Inglês
| MEDLINE | ID: mdl-33079977
2.
Role of Glycosaminoglycans in Procathepsin B Maturation: Molecular Mechanism Elucidated by a Computational Study.
J Chem Inf Model
; 60(4): 2247-2256, 2020 04 27.
Artigo
Inglês
| MEDLINE | ID: mdl-32155059
3.
Improved Consensus-Fragment Selection in Template-Assisted Prediction of Protein Structures with the UNRES Force Field in CASP13.
J Chem Inf Model
; 60(3): 1844-1864, 2020 03 23.
Artigo
Inglês
| MEDLINE | ID: mdl-31999919
4.
Assessment of chemical-crosslink-assisted protein structure modeling in CASP13.
Proteins
; 87(12): 1283-1297, 2019 12.
Artigo
Inglês
| MEDLINE | ID: mdl-31569265
5.
Prediction of protein structure with the coarse-grained UNRES force field assisted by small X-ray scattering data and knowledge-based information.
Proteins
; 86 Suppl 1: 228-239, 2018 03.
Artigo
Inglês
| MEDLINE | ID: mdl-29134679
6.
Ergodicity and model quality in template-restrained canonical and temperature/Hamiltonian replica exchange coarse-grained molecular dynamics simulations of proteins.
J Comput Chem
; 38(31): 2730-2746, 2017 12 05.
Artigo
Inglês
| MEDLINE | ID: mdl-28940211
7.
Assessment of chemical-crosslink-assisted protein structure modeling in CASP13.
Proteins
; 88(3): 540, 2020 Mar.
Artigo
Inglês
| MEDLINE | ID: mdl-31977133
8.
Modeling the Structure, Dynamics, and Transformations of Proteins with the UNRES Force Field.
Methods Mol Biol
; 2376: 399-416, 2022.
Artigo
Inglês
| MEDLINE | ID: mdl-34845623
9.
Evaluation of the scale-consistent UNRES force field in template-free prediction of protein structures in the CASP13 experiment.
J Mol Graph Model
; 92: 154-166, 2019 11.
Artigo
Inglês
| MEDLINE | ID: mdl-31376733