Detalhe da pesquisa
1.
Genome sequencing and analysis of black flounder (Paralichthys orbignyanus) reveals new insights into Pleuronectiformes genomic size and structure.
BMC Genomics
; 25(1): 297, 2024 Mar 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-38509481
2.
Spatial and Seasonal Variations in the Bacterial Community of an Anthropogenic Impacted Urban Stream.
Microb Ecol
; 85(3): 862-874, 2023 Apr.
Artigo
em Inglês
| MEDLINE | ID: mdl-35701635
3.
Solvent Sites Improve Docking Performance of Protein-Protein Complexes and Protein-Protein Interface-Targeted Drugs.
J Chem Inf Model
; 62(15): 3577-3588, 2022 08 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-35853201
4.
Specificity and Reactivity of Mycobacterium tuberculosis Serine/Threonine Kinases PknG and PknB.
J Chem Inf Model
; 62(7): 1723-1733, 2022 04 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-35319884
5.
AutoDock Bias: improving binding mode prediction and virtual screening using known protein-ligand interactions.
Bioinformatics
; 35(19): 3836-3838, 2019 10 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-30825370
6.
Kinase Activation by Small Conformational Changes.
J Chem Inf Model
; 60(2): 821-832, 2020 02 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-31714778
7.
Target-Pathogen: a structural bioinformatic approach to prioritize drug targets in pathogens.
Nucleic Acids Res
; 46(D1): D413-D418, 2018 01 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-29106651
8.
Cosolvent-Based Protein Pharmacophore for Ligand Enrichment in Virtual Screening.
J Chem Inf Model
; 59(8): 3572-3583, 2019 08 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-31373819
9.
Structural and mechanistic comparison of the Cyclopropane Mycolic Acid Synthases (CMAS) protein family of Mycobacterium tuberculosis.
Biochem Biophys Res Commun
; 498(2): 288-295, 2018 03 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-28859976
10.
Multiscale approach to the activation and phosphotransfer mechanism of CpxA histidine kinase reveals a tight coupling between conformational and chemical steps.
Biochem Biophys Res Commun
; 498(2): 305-312, 2018 03 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-28911864
11.
Solvents to Fragments to Drugs: MD Applications in Drug Design.
Molecules
; 23(12)2018 Dec 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-30544890
12.
LigQ: A Webserver to Select and Prepare Ligands for Virtual Screening.
J Chem Inf Model
; 57(8): 1741-1746, 2017 08 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-28700230
13.
Molecular Dynamics in Mixed Solvents Reveals Protein-Ligand Interactions, Improves Docking, and Allows Accurate Binding Free Energy Predictions.
J Chem Inf Model
; 57(4): 846-863, 2017 04 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-28318252
14.
Phosphorylation or Mutation of the ERK2 Activation Loop Alters Oligonucleotide Binding.
Biochemistry
; 55(12): 1909-17, 2016 Mar 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-26950759
15.
WATCLUST: a tool for improving the design of drugs based on protein-water interactions.
Bioinformatics
; 31(22): 3697-9, 2015 Nov 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-26198103
16.
Protein topology determines cysteine oxidation fate: the case of sulfenyl amide formation among protein families.
PLoS Comput Biol
; 11(3): e1004051, 2015 Mar.
Artigo
em Inglês
| MEDLINE | ID: mdl-25741692
17.
An integrated structural proteomics approach along the druggable genome of Corynebacterium pseudotuberculosis species for putative druggable targets.
BMC Genomics
; 16 Suppl 5: S9, 2015.
Artigo
em Inglês
| MEDLINE | ID: mdl-26041381
18.
QM/MM study of the C-C coupling reaction mechanism of CYP121, an essential cytochrome p450 of Mycobacterium tuberculosis.
Proteins
; 82(6): 1004-21, 2014 Jun.
Artigo
em Inglês
| MEDLINE | ID: mdl-24356896
19.
Solution and crystal structure of BA42, a protein from the Antarctic bacterium Bizionia argentinensis comprised of a stand-alone TPM domain.
Proteins
; 82(11): 3062-78, 2014 Nov.
Artigo
em Inglês
| MEDLINE | ID: mdl-25116514
20.
Correction to Molecular Dynamics in Mixed Solvents Reveals Protein-Ligand Interactions, Improves Docking and Allows Accurate Binding Free Energy Predictions.
J Chem Inf Model
; 58(6): 1312, 2018 06 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-29897744