Detalhe da pesquisa
1.
Water will Find Its Way: Transport through Narrow Tunnels in Hydrolases.
J Chem Inf Model
; 2024 Apr 26.
Artigo
Inglês
| MEDLINE | ID: mdl-38669675
2.
Restriction of access to the central cavity is a major contributor to substrate selectivity in plant ABCG transporters.
Cell Mol Life Sci
; 80(4): 105, 2023 Mar 23.
Artigo
Inglês
| MEDLINE | ID: mdl-36952129
3.
Recent advances in user-friendly computational tools to engineer protein function.
Brief Bioinform
; 22(3)2021 05 20.
Artigo
Inglês
| MEDLINE | ID: mdl-32743637
4.
TransportTools: a library for high-throughput analyses of internal voids in biomolecules and ligand transport through them.
Bioinformatics
; 38(6): 1752-1753, 2022 03 04.
Artigo
Inglês
| MEDLINE | ID: mdl-34971366
5.
Caver Web 1.0: identification of tunnels and channels in proteins and analysis of ligand transport.
Nucleic Acids Res
; 47(W1): W414-W422, 2019 07 02.
Artigo
Inglês
| MEDLINE | ID: mdl-31114897
6.
CaverDock: a molecular docking-based tool to analyse ligand transport through protein tunnels and channels.
Bioinformatics
; 35(23): 4986-4993, 2019 12 01.
Artigo
Inglês
| MEDLINE | ID: mdl-31077297
7.
Dynamics, a Powerful Component of Current and Future in Silico Approaches for Protein Design and Engineering.
Int J Mol Sci
; 21(8)2020 Apr 14.
Artigo
Inglês
| MEDLINE | ID: mdl-32295283
8.
CAVER Analyst 2.0: analysis and visualization of channels and tunnels in protein structures and molecular dynamics trajectories.
Bioinformatics
; 34(20): 3586-3588, 2018 10 15.
Artigo
Inglês
| MEDLINE | ID: mdl-29741570
9.
FireProt: web server for automated design of thermostable proteins.
Nucleic Acids Res
; 45(W1): W393-W399, 2017 07 03.
Artigo
Inglês
| MEDLINE | ID: mdl-28449074
10.
Molecular Gating of an Engineered Enzyme Captured in Real Time.
J Am Chem Soc
; 140(51): 17999-18008, 2018 12 26.
Artigo
Inglês
| MEDLINE | ID: mdl-30501200
11.
Computer-assisted engineering of hyperstable fibroblast growth factor 2.
Biotechnol Bioeng
; 115(4): 850-862, 2018 04.
Artigo
Inglês
| MEDLINE | ID: mdl-29278409
12.
HotSpot Wizard 2.0: automated design of site-specific mutations and smart libraries in protein engineering.
Nucleic Acids Res
; 44(W1): W479-87, 2016 07 08.
Artigo
Inglês
| MEDLINE | ID: mdl-27174934
13.
Tools and data services registry: a community effort to document bioinformatics resources.
Nucleic Acids Res
; 44(D1): D38-47, 2016 Jan 04.
Artigo
Inglês
| MEDLINE | ID: mdl-26538599
14.
Enzyme Tunnels and Gates As Relevant Targets in Drug Design.
Med Res Rev
; 37(5): 1095-1139, 2017 09.
Artigo
Inglês
| MEDLINE | ID: mdl-27957758
15.
Ancestral Haloalkane Dehalogenases Show Robustness and Unique Substrate Specificity.
Chembiochem
; 18(14): 1448-1456, 2017 07 18.
Artigo
Inglês
| MEDLINE | ID: mdl-28419658
16.
PredictSNP2: A Unified Platform for Accurately Evaluating SNP Effects by Exploiting the Different Characteristics of Variants in Distinct Genomic Regions.
PLoS Comput Biol
; 12(5): e1004962, 2016 05.
Artigo
Inglês
| MEDLINE | ID: mdl-27224906
17.
Catalytic Cycle of Haloalkane Dehalogenases Toward Unnatural Substrates Explored by Computational Modeling.
J Chem Inf Model
; 57(8): 1970-1989, 2017 08 28.
Artigo
Inglês
| MEDLINE | ID: mdl-28696117
18.
Different Structural Origins of the Enantioselectivity of Haloalkane Dehalogenases toward Linear ß-Haloalkanes: Open-Solvated versus Occluded-Desolvated Active Sites.
Angew Chem Int Ed Engl
; 56(17): 4719-4723, 2017 04 18.
Artigo
Inglês
| MEDLINE | ID: mdl-28334478
19.
Discovery of Novel Haloalkane Dehalogenase Inhibitors.
Appl Environ Microbiol
; 82(6): 1958-1965, 2016 Jan 15.
Artigo
Inglês
| MEDLINE | ID: mdl-26773086
20.
Dynamics and hydration explain failed functional transformation in dehalogenase design.
Nat Chem Biol
; 10(6): 428-30, 2014 Jun.
Artigo
Inglês
| MEDLINE | ID: mdl-24727901