Detalhe da pesquisa
1.
Staphylococcus aureus Exfoliative Toxin E, Oligomeric State and Flip of P186: Implications for Its Action Mechanism.
Int J Mol Sci
; 23(17)2022 Aug 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-36077258
2.
In silico identification of noncompetitive inhibitors targeting an uncharacterized allosteric site of falcipain-2.
J Comput Aided Mol Des
; 35(10): 1067-1079, 2021 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-34617191
3.
Water Bridges Play a Key Role in Affinity and Selectivity for Malarial Protease Falcipain-2.
J Chem Inf Model
; 60(11): 5499-5512, 2020 11 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-32634311
4.
Pisum sativum Defensin 1 Eradicates Mouse Metastatic Lung Nodules from B16F10 Melanoma Cells.
Int J Mol Sci
; 21(8)2020 Apr 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-32290394
5.
Investigation of the binding mode of a novel cruzain inhibitor by docking, molecular dynamics, ab initio and MM/PBSA calculations.
J Comput Aided Mol Des
; 32(5): 591-605, 2018 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-29564808
6.
Predicting binding modes of reversible peptide-based inhibitors of falcipain-2 consistent with structure-activity relationships.
Proteins
; 85(9): 1666-1683, 2017 Sep.
Artigo
em Inglês
| MEDLINE | ID: mdl-28543724
7.
Insights into cytochrome bc1 complex binding mode of antimalarial 2-hydroxy-1,4-naphthoquinones through molecular modelling.
Mem Inst Oswaldo Cruz
; 112(4): 299-308, 2017 Apr.
Artigo
em Inglês
| MEDLINE | ID: mdl-28327793
8.
Structure-based discovery of novel cruzain inhibitors with distinct trypanocidal activity profiles.
Eur J Med Chem
; 257: 115498, 2023 Sep 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-37290182
9.
Structural analysis of the N-terminal fragment of the antiangiogenic protein endostatin: a molecular dynamics study.
Proteins
; 79(9): 2684-92, 2011 Sep.
Artigo
em Inglês
| MEDLINE | ID: mdl-21769939
10.
High temperatures enhance cooperative motions between CBM and catalytic domains of a thermostable cellulase: mechanism insights from essential dynamics.
Phys Chem Chem Phys
; 13(30): 13709-20, 2011 Aug 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-21713261
11.
Computational study on the allosteric mechanism of Leishmania major IF4E-1 by 4E-interacting protein-1: Unravelling the determinants of m7GTP cap recognition.
Comput Struct Biotechnol J
; 19: 2027-2044, 2021.
Artigo
em Inglês
| MEDLINE | ID: mdl-33995900
12.
Consensus modes, a robust description of protein collective motions from multiple-minima normal mode analysis--application to the HIV-1 protease.
Phys Chem Chem Phys
; 12(12): 2850-9, 2010 Mar 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-20449375
13.
Physicochemical and structural properties of lunasin revealed by spectroscopic, chromatographic and molecular dynamics approaches.
Biochim Biophys Acta Proteins Proteom
; 1868(8): 140440, 2020 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-32376479
14.
Prediction of Noncompetitive Inhibitor Binding Mode Reveals Promising Site for Allosteric Modulation of Falcipain-2.
J Phys Chem B
; 123(34): 7327-7342, 2019 08 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-31366200
15.
Dissecting a novel allosteric mechanism of cruzain: A computer-aided approach.
PLoS One
; 14(1): e0211227, 2019.
Artigo
em Inglês
| MEDLINE | ID: mdl-30682119
16.
Insights into the Interactions of Fasciola hepatica Cathepsin L3 with a Substrate and Potential Novel Inhibitors through In Silico Approaches.
PLoS Negl Trop Dis
; 9(5): e0003759, 2015 May.
Artigo
em Inglês
| MEDLINE | ID: mdl-25978322
17.
Differential effects of CSF-1R D802V and KIT D816V homologous mutations on receptor tertiary structure and allosteric communication.
PLoS One
; 9(5): e97519, 2014.
Artigo
em Inglês
| MEDLINE | ID: mdl-24828813
18.
Structural analysis of Pla protein from the biological warfare agent Yersinia pestis: docking and molecular dynamics of interactions with the mammalian plasminogen system.
J Biomol Struct Dyn
; 31(5): 477-84, 2013.
Artigo
em Inglês
| MEDLINE | ID: mdl-22881127
19.
Molecular dynamics simulations of peptide inhibitors complexed with Trypanosoma cruzi trypanothione reductase.
Chem Biol Drug Des
; 80(4): 561-71, 2012 Oct.
Artigo
em Inglês
| MEDLINE | ID: mdl-22702225
20.
Insights into cytochrome bc1 complex binding mode of antimalarial 2-hydroxy-1, 4-naphthoquinones through molecular modelling
Mem. Inst. Oswaldo Cruz
; 112(4): 299-308, Apr. 2017. tab, graf
Artigo
em Inglês
| LILACS | ID: biblio-841780