Detalhe da pesquisa
1.
Optimization of parallel implementation of UNRES package for coarse-grained simulations to treat large proteins.
J Comput Chem
; 44(4): 602-625, 2023 02 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-36378078
2.
A coarse-grained approach to NMR-data-assisted modeling of protein structures.
J Comput Chem
; 43(31): 2047-2059, 2022 12 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-36134668
3.
Prediction of protein assemblies, the next frontier: The CASP14-CAPRI experiment.
Proteins
; 89(12): 1800-1823, 2021 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-34453465
4.
ESCASA: Analytical estimation of atomic coordinates from coarse-grained geometry for nuclear-magnetic-resonance-assisted protein structure modeling. I. Backbone and Hß protons.
J Comput Chem
; 42(22): 1579-1589, 2021 08 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-34048074
5.
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
em Inglês
| MEDLINE | ID: mdl-31999919
6.
Assessment of chemical-crosslink-assisted protein structure modeling in CASP13.
Proteins
; 87(12): 1283-1297, 2019 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-31569265
7.
Introduction of a bounded penalty function in contact-assisted simulations of protein structures to omit false restraints.
J Comput Chem
; 40(25): 2164-2178, 2019 09 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-31037754
8.
Local and long range potentials for heparin-protein systems for coarse-grained simulations.
Biopolymers
; 110(8): e23269, 2019 Aug.
Artigo
em Inglês
| MEDLINE | ID: mdl-30866039
9.
A general method for the derivation of the functional forms of the effective energy terms in coarse-grained energy functions of polymers. II. Backbone-local potentials of coarse-grained O1â4-bonded polyglucose chains.
J Chem Phys
; 147(11): 115101, 2017 Sep 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-28938819
10.
Potent antidiuretic agonists, deamino-vasopressin and desmopressin, and their inverso analogs: NMR structure and interactions with micellar and liposomic models of cell membrane.
Biopolymers
; 106(3): 245-59, 2016 May.
Artigo
em Inglês
| MEDLINE | ID: mdl-26916937
11.
Assessment of chemical-crosslink-assisted protein structure modeling in CASP13.
Proteins
; 88(3): 540, 2020 Mar.
Artigo
em Inglês
| MEDLINE | ID: mdl-31977133
12.
Arginine-, D-arginine-vasopressin, and their inverso analogues in micellar and liposomic models of cell membrane: CD, NMR, and molecular dynamics studies.
Eur Biophys J
; 44(8): 727-43, 2015 Dec.
Artigo
em Inglês
| MEDLINE | ID: mdl-26290060
13.
Conformational studies of neurohypophyseal hormones analogues with glycoconjugates by NMR spectroscopy.
J Pept Sci
; 20(6): 406-14, 2014 Jun.
Artigo
em Inglês
| MEDLINE | ID: mdl-24644276
14.
Early Stages of RNA-Mediated Conversion of Human Prions.
J Phys Chem B
; 126(33): 6221-6230, 2022 08 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-35973105
15.
Improvements and new functionalities of UNRES server for coarse-grained modeling of protein structure, dynamics, and interactions.
Front Mol Biosci
; 9: 1071428, 2022.
Artigo
em Inglês
| MEDLINE | ID: mdl-36589235
16.
Modeling the Structure, Dynamics, and Transformations of Proteins with the UNRES Force Field.
Methods Mol Biol
; 2376: 399-416, 2022.
Artigo
em Inglês
| MEDLINE | ID: mdl-34845623
17.
Recent Developments in Data-Assisted Modeling of Flexible Proteins.
Front Mol Biosci
; 8: 765562, 2021.
Artigo
em Inglês
| MEDLINE | ID: mdl-35004845
18.
Modeling protein structures with the coarse-grained UNRES force field in the CASP14 experiment.
J Mol Graph Model
; 108: 108008, 2021 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-34419932
19.
Scale-consistent approach to the derivation of coarse-grained force fields for simulating structure, dynamics, and thermodynamics of biopolymers.
Prog Mol Biol Transl Sci
; 170: 73-122, 2020.
Artigo
em Inglês
| MEDLINE | ID: mdl-32145953
20.
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
em Inglês
| MEDLINE | ID: mdl-31376733