Detalhe da pesquisa
1.
Phosphorylation Mechanism Switching in Histidine Kinases Is a Tool for Fast Protein Evolution: Insights From AlphaFold Models.
Proteins
; 2024 Jun 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-38884545
2.
High-throughput splicing assays identify missense and silent splice-disruptive POU1F1 variants underlying pituitary hormone deficiency.
Am J Hum Genet
; 108(8): 1526-1539, 2021 08 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-34270938
3.
Best Practices on QM/MM Simulations of Biological Systems.
J Chem Inf Model
; 63(9): 2609-2627, 2023 05 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-37100031
4.
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
5.
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
6.
A Remote Secondary Binding Pocket Promotes Heteromultivalent Targeting of DC-SIGN.
J Am Chem Soc
; 143(45): 18977-18988, 2021 11 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-34748320
7.
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
8.
Structure and function of crocodilian hemoglobins and allosteric regulation by chloride, ATP, and CO2.
Am J Physiol Regul Integr Comp Physiol
; 318(3): R657-R667, 2020 03 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-32022587
9.
The Underlying Mechanism of HNO Production by the Myoglobin-Mediated Oxidation of Hydroxylamine.
Inorg Chem
; 59(12): 7939-7952, 2020 Jun 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-32436700
10.
Kinase Activation by Small Conformational Changes.
J Chem Inf Model
; 60(2): 821-832, 2020 02 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-31714778
11.
An efficient use of X-ray information, homology modeling, molecular dynamics and knowledge-based docking techniques to predict protein-monosaccharide complexes.
Glycobiology
; 29(2): 124-136, 2019 02 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-30407518
12.
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
13.
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
14.
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
15.
Solvents to Fragments to Drugs: MD Applications in Drug Design.
Molecules
; 23(12)2018 Dec 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-30544890
16.
HNO Is Produced by the Reaction of NO with Thiols.
J Am Chem Soc
; 139(41): 14483-14487, 2017 10 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-28926245
17.
CG2AA: backmapping protein coarse-grained structures.
Bioinformatics
; 32(8): 1235-7, 2016 04 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-26677962
18.
A quantitative model for oxygen uptake and release in a family of hemeproteins.
Bioinformatics
; 32(12): 1805-13, 2016 06 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-27153569
19.
Tyrosine oxidation and nitration in transmembrane peptides is connected to lipid peroxidation.
Arch Biochem Biophys
; 622: 9-25, 2017 05 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-28412156
20.
Evolutionary and Functional Relationships in the Truncated Hemoglobin Family.
PLoS Comput Biol
; 12(1): e1004701, 2016 Jan.
Artigo
em Inglês
| MEDLINE | ID: mdl-26788940