Detalhe da pesquisa
1.
MEN1 mutations mediate clinical resistance to menin inhibition.
Nature
; 615(7954): 913-919, 2023 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-36922589
2.
Opening of a cryptic pocket in ß-lactamase increases penicillinase activity.
Proc Natl Acad Sci U S A
; 118(47)2021 11 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-34799442
3.
SARS-CoV-2 Nsp16 activation mechanism and a cryptic pocket with pan-coronavirus antiviral potential.
Biophys J
; 120(14): 2880-2889, 2021 07 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-33794150
4.
Antagonism between substitutions in ß-lactamase explains a path not taken in the evolution of bacterial drug resistance.
J Biol Chem
; 295(21): 7376-7390, 2020 05 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-32299911
5.
Mechanistic Basis for ATP-Dependent Inhibition of Glutamine Synthetase by Tabtoxinine-ß-lactam.
Biochemistry
; 57(1): 117-135, 2018 01 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-29039929
6.
Plant growth promoting properties of Halobacillus sp. and Halomonas sp. in presence of salinity and heavy metals.
J Basic Microbiol
; 54(8): 781-91, 2014 Aug.
Artigo
em Inglês
| MEDLINE | ID: mdl-23775888
7.
G Protein Activation Occurs via a Largely Universal Mechanism.
J Phys Chem B
; 128(15): 3554-3562, 2024 Apr 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-38580321
8.
Drug Discovery in Low Data Regimes: Leveraging a Computational Pipeline for the Discovery of Novel SARS-CoV-2 Nsp14-MTase Inhibitors.
bioRxiv
; 2024 Jan 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-37873443
9.
OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials.
J Phys Chem B
; 128(1): 109-116, 2024 Jan 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-38154096
10.
Death by a Thousand Cuts â" Combining Kinase Inhibitors for Selective Target Inhibition and Rational Polypharmacology.
bioRxiv
; 2023 Jan 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-36711619
11.
Death by a thousand cuts through kinase inhibitor combinations that maximize selectivity and enable rational multitargeting.
Elife
; 122023 Dec 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-38047771
12.
Identifying and overcoming the sampling challenges in relative binding free energy calculations of a model protein:protein complex.
bioRxiv
; 2023 Jun 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-36945557
13.
Identifying and Overcoming the Sampling Challenges in Relative Binding Free Energy Calculations of a Model Protein:Protein Complex.
J Chem Theory Comput
; 19(15): 4863-4882, 2023 Aug 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-37450482
14.
OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials.
ArXiv
; 2023 Nov 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-37986730
15.
A cryptic pocket in Ebola VP35 allosterically controls RNA binding.
Nat Commun
; 13(1): 2269, 2022 04 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-35477718
16.
The SARS-CoV-2 nucleocapsid protein is dynamic, disordered, and phase separates with RNA.
Nat Commun
; 12(1): 1936, 2021 03 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-33782395
17.
SARS-CoV-2 simulations go exascale to predict dramatic spike opening and cryptic pockets across the proteome.
Nat Chem
; 13(7): 651-659, 2021 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-34031561
18.
SARS-CoV-2 Nsp16 activation mechanism and a cryptic pocket with pan-coronavirus antiviral potential.
bioRxiv
; 2020 Dec 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-33330873
19.
The SARS-CoV-2 nucleocapsid protein is dynamic, disordered, and phase separates with RNA.
bioRxiv
; 2020 Dec 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-32587966
20.
SARS-CoV-2 Simulations Go Exascale to Capture Spike Opening and Reveal Cryptic Pockets Across the Proteome.
bioRxiv
; 2020 Oct 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-32637963