Detalhe da pesquisa
1.
Molecular Latent Space Simulators for Distributed and Multimolecular Trajectories.
J Phys Chem A
; 127(25): 5470-5490, 2023 Jun 29.
Artigo
Inglês
| MEDLINE | ID: mdl-37314375
2.
OpenMM 7: Rapid development of high performance algorithms for molecular dynamics.
PLoS Comput Biol
; 13(7): e1005659, 2017 Jul.
Artigo
Inglês
| MEDLINE | ID: mdl-28746339
3.
What Markov State Models Can and Cannot Do: Correlation versus Path-Based Observables in Protein-Folding Models.
J Chem Theory Comput
; 17(5): 3119-3133, 2021 May 11.
Artigo
Inglês
| MEDLINE | ID: mdl-33904312
4.
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
Inglês
| MEDLINE | ID: mdl-34031561
5.
SARS-CoV-2 Simulations Go Exascale to Capture Spike Opening and Reveal Cryptic Pockets Across the Proteome.
bioRxiv
; 2020 Oct 07.
Artigo
Inglês
| MEDLINE | ID: mdl-32637963
6.
Ancestral reconstruction reveals mechanisms of ERK regulatory evolution.
Elife
; 82019 08 13.
Artigo
Inglês
| MEDLINE | ID: mdl-31407663
7.
The dynamic conformational landscape of the protein methyltransferase SETD8.
Elife
; 82019 05 13.
Artigo
Inglês
| MEDLINE | ID: mdl-31081496