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
em 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
em 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
em 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
em 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
em Inglês
| MEDLINE
| ID: mdl-35963023
6.
Targeting the HVEM protein using a fragment of glycoprotein D to inhibit formation of the BTLA/HVEM complex.
Bioorg Chem;
122: 105748, 2022 05.
Artigo
em Inglês
| MEDLINE
| ID: mdl-35325694
7.
Mitochondrial potassium channels: A novel calcitriol target.
Cell Mol Biol Lett;
27(1): 3, 2022 Jan 03.
Artigo
em Inglês
| MEDLINE
| ID: mdl-34979905
8.
Theoretical Investigation of the Coronavirus SARS-CoV-2 (COVID-19) Infection Mechanism and Selectivity.
Molecules;
27(7)2022 Mar 24.
Artigo
em Inglês
| MEDLINE
| ID: mdl-35408482
9.
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
10.
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
11.
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
em Inglês
| MEDLINE
| ID: mdl-29718313
12.
Fragments of gD Protein as Inhibitors of BTLA/HVEM Complex Formation-Design, Synthesis, and Cellular Studies.
Int J Mol Sci;
21(22)2020 Nov 23.
Artigo
em Inglês
| MEDLINE
| ID: mdl-33238640
13.
Structural Characterization of Covalently Stabilized Human Cystatin C Oligomers.
Int J Mol Sci;
21(16)2020 Aug 15.
Artigo
em Inglês
| MEDLINE
| ID: mdl-32824145
14.
Disulfide-Linked Peptides for Blocking BTLA/HVEM Binding.
Int J Mol Sci;
21(2)2020 Jan 18.
Artigo
em Inglês
| MEDLINE
| ID: mdl-31963646
15.
Assessment of chemical-crosslink-assisted protein structure modeling in CASP13.
Proteins;
87(12): 1283-1297, 2019 12.
Artigo
em Inglês
| MEDLINE
| ID: mdl-31569265
16.
Molecular dynamics insights into protein-glycosaminoglycan systems from microsecond-scale simulations.
Biopolymers;
110(7): e23252, 2019 Jul.
Artigo
em Inglês
| MEDLINE
| ID: mdl-30667535
17.
The molecular mechanism of structural changes in the antimicrobial peptide CM15 upon complex formation with drug molecule suramin: a computational analysis.
Phys Chem Chem Phys;
21(20): 10644-10659, 2019 May 28.
Artigo
em Inglês
| MEDLINE
| ID: mdl-31080973
18.
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
em Inglês
| MEDLINE
| ID: mdl-31005069
19.
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
em Inglês
| MEDLINE
| ID: mdl-30306573
20.
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
em Inglês
| MEDLINE
| ID: mdl-30014063