Detalhe da pesquisa
1.
Reparameterization of Non-Bonded Parameters for Copper Ions in Plastocyanin: An Adaptive Force Matching Study.
J Chem Inf Model
; 63(15): 4654-4663, 2023 Aug 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-37459569
2.
Sustainable Hues: Exploring the Molecular Palette of Biowaste Dyes through LC-MS Metabolomics.
Molecules
; 26(21)2021 Nov 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-34771057
3.
Conformational dynamics of [Formula: see text]-conotoxin PnIB in complex solvent systems.
Mol Divers
; 24(4): 1291-1299, 2020 Nov.
Artigo
em Inglês
| MEDLINE | ID: mdl-31502188
4.
Identification of Conomarphin Variants in the Conus eburneus Venom and the Effect of Sequence and PTM Variations on Conomarphin Conformations.
Mar Drugs
; 18(10)2020 Oct 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-33019526
5.
Machine Learning for Predicting Electron Transfer Coupling.
J Phys Chem A
; 123(36): 7792-7802, 2019 Sep 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-31429287
6.
Molecular Affinity of Mabolo Extracts to an Octopamine Receptor of a Fruit Fly.
Molecules
; 22(10)2017 Oct 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-29064449
7.
Pressure-induced conformational switch of an interfacial protein.
Proteins
; 84(6): 820-7, 2016 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-26967808
8.
DMSO enhanced conformational switch of an interfacial enzyme.
Biopolymers
; 105(12): 864-72, 2016 Dec.
Artigo
em Inglês
| MEDLINE | ID: mdl-27463323
9.
Mapping allostery through computational glycine scanning and correlation analysis of residue-residue contacts.
Biochemistry
; 54(7): 1534-41, 2015 Feb 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-25658131
10.
Solvent-induced α- to 3(10)-helix transition of an amphiphilic peptide.
Biochemistry
; 52(40): 7137-44, 2013 Oct 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-24066804
11.
Swimming motility plays a key role in the stochastic dynamics of cell clumping.
Phys Biol
; 10(2): 026005, 2013 Apr.
Artigo
em Inglês
| MEDLINE | ID: mdl-23416991
12.
The role of glycerol-water mixtures in the stability of FKBP12-rapalog-FRB complexes.
J Mol Graph Model
; 124: 108556, 2023 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-37423019
13.
Complementary Pocket and Network-Based Approach to Search for Spike Protein Allosteric Pocket Sites.
ACS Omega
; 8(48): 45313-45325, 2023 Dec 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-38075758
14.
Specificity of Monoterpene Interactions with Insect Octopamine and Tyramine Receptors: Insights from in Silico Sequence and Structure Comparison.
ACS Omega
; 8(4): 3861-3871, 2023 Jan 31.
Artigo
em Inglês
| MEDLINE | ID: mdl-36743026
15.
Solvent-dependent gating motions of an extremophilic lipase from Pseudomonas aeruginosa.
Biochemistry
; 51(31): 6238-45, 2012 Aug 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-22830585
16.
High-pressure effect on the dynamics of solvated peptides.
J Chem Phys
; 136(14): 145103, 2012 Apr 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-22502549
17.
Stability and sugar recognition ability of ricin-like carbohydrate binding domains.
Biochemistry
; 50(19): 4097-104, 2011 May 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-21510689
18.
The effect of ligand affinity to the contact dynamics of the ligand binding domain of thyroid hormone receptor - retinoid X receptor.
J Mol Graph Model
; 104: 107829, 2021 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-33450664
19.
Small in size, big on taste: Metabolomics analysis of flavor compounds from Philippine garlic.
PLoS One
; 16(5): e0247289, 2021.
Artigo
em Inglês
| MEDLINE | ID: mdl-34014935
20.
pH-Dependent Conformations of an Antimicrobial Spider Venom Peptide, Cupiennin 1a, from Unbiased HREMD Simulations.
ACS Omega
; 6(37): 24166-24175, 2021 Sep 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-34568695