Detalhe da pesquisa
1.
Understanding the riddle of amine oxidase flavoenzyme reactivity on the stereoisomers of N-methyl-dopa and N-methyl-tyrosine.
J Mol Recognit
; 37(2): e3068, 2024 Mar.
Artigo
em Inglês
| MEDLINE | ID: mdl-37968575
2.
Virus-like particle-mediated delivery of structure-selected neoantigens demonstrates immunogenicity and antitumoral activity in mice.
J Transl Med
; 22(1): 14, 2024 Jan 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-38172991
3.
Accelerated Enveloping Distribution Sampling (AEDS) Allows for Efficient Sampling of Orthogonal Degrees of Freedom.
J Chem Inf Model
; 63(1): 197-207, 2023 01 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-36512416
4.
Combining Monte Carlo and Molecular Dynamics Simulations for Enhanced Binding Free Energy Estimation through Markov State Models.
J Chem Inf Model
; 60(11): 5529-5539, 2020 11 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-32644807
5.
Flexible Gaussian Accelerated Molecular Dynamics to Enhance Biological Sampling.
J Chem Theory Comput
; 19(18): 6521-6531, 2023 Sep 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-37649349
6.
Accelerated Enveloping Distribution Sampling to Probe the Presence of Water Molecules.
J Chem Theory Comput
; 19(11): 3379-3390, 2023 Jun 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-37167545
7.
Mutations Increasing Cofactor Affinity, Improve Stability and Activity of a Baeyer-Villiger Monooxygenase.
ACS Catal
; 12(19): 11761-11766, 2022 Oct 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-36249873
8.
PELE-MSM: A Monte Carlo Based Protocol for the Estimation of Absolute Binding Free Energies.
J Chem Theory Comput
; 15(11): 6243-6253, 2019 Nov 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-31589430