Detalhe da pesquisa
1.
Evolution of tunnels in α/ß-hydrolase fold proteins-What can we learn from studying epoxide hydrolases?
PLoS Comput Biol
; 18(5): e1010119, 2022 05.
Artigo
Inglês
| MEDLINE | ID: mdl-35580137
2.
Recent Advances in Studying Toll-like Receptors with the Use of Computational Methods.
J Chem Inf Model
; 63(12): 3669-3687, 2023 06 26.
Artigo
Inglês
| MEDLINE | ID: mdl-37285179
3.
Geometry-Based versus Small-Molecule Tracking Method for Tunnel Identification: Benefits and Pitfalls.
J Chem Inf Model
; 62(24): 6803-6811, 2022 12 26.
Artigo
Inglês
| MEDLINE | ID: mdl-36374085
4.
AQUA-DUCT 1.0: structural and functional analysis of macromolecules from an intramolecular voids perspective.
Bioinformatics
; 36(8): 2599-2601, 2020 04 15.
Artigo
Inglês
| MEDLINE | ID: mdl-31860077
5.
Computational Selectivity Assessment of Protease Inhibitors against SARS-CoV-2.
Int J Mol Sci
; 22(4)2021 Feb 19.
Artigo
Inglês
| MEDLINE | ID: mdl-33669738
6.
Simple Selection Procedure to Distinguish between Static and Flexible Loops.
Int J Mol Sci
; 21(7)2020 Mar 26.
Artigo
Inglês
| MEDLINE | ID: mdl-32225102
7.
Structural and Evolutionary Analysis Indicate That the SARS-CoV-2 Mpro Is a Challenging Target for Small-Molecule Inhibitor Design.
Int J Mol Sci
; 21(9)2020 Apr 28.
Artigo
Inglês
| MEDLINE | ID: mdl-32353978
8.
BALCONY: an R package for MSA and functional compartments of protein variability analysis.
BMC Bioinformatics
; 19(1): 300, 2018 08 14.
Artigo
Inglês
| MEDLINE | ID: mdl-30107777
9.
AQUA-DUCT: a ligands tracking tool.
Bioinformatics
; 33(13): 2045-2046, 2017 Jul 01.
Artigo
Inglês
| MEDLINE | ID: mdl-28334160
10.
CAVER Analyst 1.0: graphic tool for interactive visualization and analysis of tunnels and channels in protein structures.
Bioinformatics
; 30(18): 2684-5, 2014 Sep 15.
Artigo
Inglês
| MEDLINE | ID: mdl-24876375
11.
Effects of γ-polyglutamic acid on grassland sandy soil properties and plant functional traits exposed to drought stress.
Sci Rep
; 14(1): 3769, 2024 02 14.
Artigo
Inglês
| MEDLINE | ID: mdl-38355917
12.
A single mutation in a tunnel to the active site changes the mechanism and kinetics of product release in haloalkane dehalogenase LinB.
J Biol Chem
; 287(34): 29062-74, 2012 Aug 17.
Artigo
Inglês
| MEDLINE | ID: mdl-22745119
13.
CAVER 3.0: a tool for the analysis of transport pathways in dynamic protein structures.
PLoS Comput Biol
; 8(10): e1002708, 2012.
Artigo
Inglês
| MEDLINE | ID: mdl-23093919
14.
The modelling and enhancement of water hydrodynamics: general discussion.
Faraday Discuss
; 209(0): 273-285, 2018 09 28.
Artigo
Inglês
| MEDLINE | ID: mdl-30215654
15.
Structure and function of natural proteins for water transport: general discussion.
Faraday Discuss
; 209(0): 83-95, 2018 09 28.
Artigo
Inglês
| MEDLINE | ID: mdl-30215655
16.
Transient binding sites at the surface of haloalkane dehalogenase LinB as locations for fine-tuning enzymatic activity.
PLoS One
; 18(2): e0280776, 2023.
Artigo
Inglês
| MEDLINE | ID: mdl-36827335
17.
Structural Analysis of the Effect of Asn107Ser Mutation on Alg13 Activity and Alg13-Alg14 Complex Formation and Expanding the Phenotypic Variability of ALG13-CDG.
Biomolecules
; 12(3)2022 03 04.
Artigo
Inglês
| MEDLINE | ID: mdl-35327592
18.
Structure-function relationship between soluble epoxide hydrolases structure and their tunnel network.
Comput Struct Biotechnol J
; 20: 193-205, 2022.
Artigo
Inglês
| MEDLINE | ID: mdl-35024092
19.
Corrigendum to "Structure-function relationship between soluble epoxide hydrolases structure and their tunnel network" [Comput. Struct. Biotechnol. J. 20 (2022) 193-205].
Comput Struct Biotechnol J
; 20: 2198-2199, 2022.
Artigo
Inglês
| MEDLINE | ID: mdl-35615017
20.
Evaluation of Xa inhibitors as potential inhibitors of the SARS-CoV-2 Mpro protease.
PLoS One
; 17(1): e0262482, 2022.
Artigo
Inglês
| MEDLINE | ID: mdl-35015795