Detalhe da pesquisa
1.
Elucidating Dynamics of Adenylate Kinase from Enzyme Opening to Ligand Release.
J Chem Inf Model
; 64(1): 150-163, 2024 Jan 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-38117131
2.
Mechanistic Basis for a Connection between the Catalytic Step and Slow Opening Dynamics of Adenylate Kinase.
J Chem Inf Model
; 63(5): 1556-1569, 2023 03 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-36802243
3.
Insights into the origin of the high energy-conversion efficiency of F1-ATPase.
Proc Natl Acad Sci U S A
; 116(32): 15924-15929, 2019 08 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-31341091
4.
Dynamic Connection between Enzymatic Catalysis and Collective Protein Motions.
Biochemistry
; 60(28): 2246-2258, 2021 07 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-34250801
5.
Development of Noonan syndrome by deregulation of allosteric SOS autoactivation.
J Biol Chem
; 295(39): 13651-13663, 2020 09 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-32753483
6.
A simplified charge projection scheme for long-range electrostatics in ab initio QM/MM calculations.
J Chem Phys
; 154(2): 024115, 2021 Jan 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-33445891
7.
Structural Basis for GTP versus ATP Selectivity in the NMP Kinase AK3.
Biochemistry
; 59(38): 3570-3581, 2020 09 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-32822537
8.
Rhizolutin, a Novel 7/10/6-Tricyclic Dilactone, Dissociates Misfolded Protein Aggregates and Reduces Apoptosis/Inflammation Associated with Alzheimer's Disease.
Angew Chem Int Ed Engl
; 59(51): 22994-22998, 2020 12 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-32844539
9.
Trapping the ATP binding state leads to a detailed understanding of the F1-ATPase mechanism.
Proc Natl Acad Sci U S A
; 111(50): 17851-6, 2014 Dec 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-25453082
10.
Identification and Molecular Interaction Studies of Thyroid Hormone Receptor Disruptors among Household Dust Contaminants.
Chem Res Toxicol
; 29(8): 1345-54, 2016 08 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-27410513
11.
The spontaneous replication error and the mismatch discrimination mechanisms of human DNA polymerase ß.
Nucleic Acids Res
; 42(17): 11233-45, 2014.
Artigo
em Inglês
| MEDLINE | ID: mdl-25200079
12.
Role of Protein Dynamics in Allosteric Control of the Catalytic Phosphoryl Transfer of Insulin Receptor Kinase.
J Am Chem Soc
; 137(39): 12454-7, 2015 Oct 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-26374925
13.
Encounter and extrusion of an intrahelical lesion by a DNA repair enzyme.
Nature
; 462(7274): 762-6, 2009 Dec 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-20010681
14.
Strandwise translocation of a DNA glycosylase on undamaged DNA.
Proc Natl Acad Sci U S A
; 109(4): 1086-91, 2012 Jan 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-22219368
15.
Unsuspected pathway of the allosteric transition in hemoglobin.
Proc Natl Acad Sci U S A
; 108(14): 5608-13, 2011 Apr 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-21415366
16.
CHARMM-GUI QM/MM Interfacer for a Quantum Mechanical and Molecular Mechanical (QM/MM) Simulation Setup: 1. Semiempirical Methods.
J Chem Theory Comput
; 2024 Jun 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-38856971
17.
Perspectives on Computational Enzyme Modeling: From Mechanisms to Design and Drug Development.
ACS Omega
; 9(7): 7393-7412, 2024 Feb 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-38405524
18.
Enforced presentation of an extrahelical guanine to the lesion recognition pocket of human 8-oxoguanine glycosylase, hOGG1.
J Biol Chem
; 287(30): 24916-28, 2012 Jul 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-22511791
19.
The water R1(ω) NMRD profiles of a hydrated protein from molecular dynamics simulation.
Phys Chem Chem Phys
; 15(33): 14089-97, 2013 Sep 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-23868443
20.
Protein dynamics: The future is bright and complicated!
Struct Dyn
; 10(1): 014301, 2023 Jan.
Artigo
em Inglês
| MEDLINE | ID: mdl-36865927