Detalles de la búsqueda
1.
UNRES-GPU for physics-based coarse-grained simulations of protein systems at biological time- and size-scales.
Bioinformatics
; 39(6)2023 06 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-37338530
2.
Long-time scale simulations of virus-like particles from three human-norovirus strains.
J Comput Chem
; 44(16): 1470-1483, 2023 06 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-36799410
3.
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.
Artículo
en Inglés
| MEDLINE | ID: mdl-36378078
4.
Prediction of protein assemblies, the next frontier: The CASP14-CAPRI experiment.
Proteins
; 89(12): 1800-1823, 2021 12.
Artículo
en Inglés
| MEDLINE | ID: mdl-34453465
5.
Further analyses of APRIL/APRIL-receptor/glycosaminoglycan interactions by biochemical assays linked to computational studies.
Glycobiology
; 31(7): 772-786, 2021 08 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-33682874
6.
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.
Artículo
en Inglés
| MEDLINE | ID: mdl-31999919
7.
A general method for the derivation of the functional forms of the effective energy terms in coarse-grained energy functions of polymers. III. Determination of scale-consistent backbone-local and correlation potentials in the UNRES force field and force-field calibration and validation.
J Chem Phys
; 150(15): 155104, 2019 Apr 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-31005069
8.
Analysis of Procollagen C-Proteinase Enhancer-1/Glycosaminoglycan Binding Sites and of the Potential Role of Calcium Ions in the Interaction.
Int J Mol Sci
; 20(20)2019 Oct 10.
Artículo
en Inglés
| MEDLINE | ID: mdl-31658765
9.
Performance of protein-structure predictions with the physics-based UNRES force field in CASP11.
Bioinformatics
; 32(21): 3270-3278, 2016 11 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-27378298
10.
Molecular dynamics of protein A and a WW domain with a united-residue model including hydrodynamic interaction.
J Chem Phys
; 144(18): 184110, 2016 May 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-27179474
11.
Toward Consistent Physics-Based Modeling of Local Backbone Structures and Chirality Change of Proteins in Coarse-Grained Approaches.
J Phys Chem Lett
; 14(44): 9824-9833, 2023 Nov 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-37889895
12.
Coarse-grained modeling of the calcium, sodium, magnesium and potassium cations interacting with proteins.
J Mol Model
; 28(7): 201, 2022 Jun 24.
Artículo
en Inglés
| MEDLINE | ID: mdl-35748949
13.
Modeling the Structure, Dynamics, and Transformations of Proteins with the UNRES Force Field.
Methods Mol Biol
; 2376: 399-416, 2022.
Artículo
en Inglés
| MEDLINE | ID: mdl-34845623
14.
Theory and Practice of Coarse-Grained Molecular Dynamics of Biologically Important Systems.
Biomolecules
; 11(9)2021 09 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-34572559
15.
Modeling protein structures with the coarse-grained UNRES force field in the CASP14 experiment.
J Mol Graph Model
; 108: 108008, 2021 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-34419932
16.
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.
Artículo
en Inglés
| MEDLINE | ID: mdl-32145953
17.
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.
Artículo
en Inglés
| MEDLINE | ID: mdl-31376733
18.
Shielding effect in protein folding.
J Mol Graph Model
; 79: 118-132, 2018 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-29161634
19.
Studies of conformational changes of an arginine-binding protein from Thermotoga maritima in the presence and absence of ligand via molecular dynamics simulations with the coarse-grained UNRES force field.
J Mol Model
; 21(3): 64, 2015 Mar.
Artículo
en Inglés
| MEDLINE | ID: mdl-25731877
Resultados
1 -
19
de 19
1
Próxima >
>>