Detalhe da pesquisa
1.
UNRES-GPU for physics-based coarse-grained simulations of protein systems at biological time- and size-scales.
Bioinformatics
; 39(6)2023 06 01.
Artigo
Inglês
| MEDLINE | ID: mdl-37338530
2.
Integrating Explicit and Implicit Fullerene Models into UNRES Force Field for Protein Interaction Studies.
Molecules
; 29(9)2024 Apr 23.
Artigo
Inglês
| MEDLINE | ID: mdl-38731411
3.
Long-time scale simulations of virus-like particles from three human-norovirus strains.
J Comput Chem
; 44(16): 1470-1483, 2023 06 15.
Artigo
Inglês
| MEDLINE | ID: mdl-36799410
4.
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
Inglês
| MEDLINE | ID: mdl-36378078
5.
Design, synthesis and biological evaluation of PD-1 derived peptides as inhibitors of PD-1/PD-L1 complex formation for cancer therapy.
Bioorg Chem
; 128: 106047, 2022 11.
Artigo
Inglês
| MEDLINE | ID: mdl-35963023
6.
Mitochondrial potassium channels: A novel calcitriol target.
Cell Mol Biol Lett
; 27(1): 3, 2022 Jan 03.
Artigo
Inglês
| MEDLINE | ID: mdl-34979905
7.
Prediction of protein assemblies, the next frontier: The CASP14-CAPRI experiment.
Proteins
; 89(12): 1800-1823, 2021 12.
Artigo
Inglês
| MEDLINE | ID: mdl-34453465
8.
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
9.
UNRES server for physics-based coarse-grained simulations and prediction of protein structure, dynamics and thermodynamics.
Nucleic Acids Res
; 46(W1): W304-W309, 2018 07 02.
Artigo
Inglês
| MEDLINE | ID: mdl-29718313
10.
Structural Characterization of Covalently Stabilized Human Cystatin C Oligomers.
Int J Mol Sci
; 21(16)2020 Aug 15.
Artigo
Inglês
| MEDLINE | ID: mdl-32824145
11.
Assessment of chemical-crosslink-assisted protein structure modeling in CASP13.
Proteins
; 87(12): 1283-1297, 2019 12.
Artigo
Inglês
| MEDLINE | ID: mdl-31569265
12.
Molecular dynamics insights into protein-glycosaminoglycan systems from microsecond-scale simulations.
Biopolymers
; 110(7): e23252, 2019 Jul.
Artigo
Inglês
| MEDLINE | ID: mdl-30667535
13.
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.
Artigo
Inglês
| MEDLINE | ID: mdl-31005069
14.
A new protein nucleic-acid coarse-grained force field based on the UNRES and NARES-2P force fields.
J Comput Chem
; 39(28): 2360-2370, 2018 10 30.
Artigo
Inglês
| MEDLINE | ID: mdl-30306573
15.
Prediction of DNA and RNA structure with the NARES-2P force field and conformational space annealing.
Phys Chem Chem Phys
; 20(29): 19656-19663, 2018 Jul 25.
Artigo
Inglês
| MEDLINE | ID: mdl-30014063
16.
Introduction of steered molecular dynamics into UNRES coarse-grained simulations package.
J Comput Chem
; 38(8): 553-562, 2017 03 30.
Artigo
Inglês
| MEDLINE | ID: mdl-28074486
17.
Performance of protein-structure predictions with the physics-based UNRES force field in CASP11.
Bioinformatics
; 32(21): 3270-3278, 2016 11 01.
Artigo
Inglês
| MEDLINE | ID: mdl-27378298
18.
A general method for the derivation of the functional forms of the effective energy terms in coarse-grained energy functions of polymers. I. Backbone potentials of coarse-grained polypeptide chains.
J Chem Phys
; 146(12): 124106, 2017 Mar 28.
Artigo
Inglês
| MEDLINE | ID: mdl-28388107
19.
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.
Artigo
Inglês
| MEDLINE | ID: mdl-27179474
20.
Lessons from application of the UNRES force field to predictions of structures of CASP10 targets.
Proc Natl Acad Sci U S A
; 110(37): 14936-41, 2013 Sep 10.
Artigo
Inglês
| MEDLINE | ID: mdl-23980156