Detalhe da pesquisa
1.
High-Throughput Virtual Screening and Validation of a SARS-CoV-2 Main Protease Noncovalent Inhibitor.
J Chem Inf Model;
62(1): 116-128, 2022 01 10.
Artigo
em Inglês
| MEDLINE
| ID: mdl-34793155
2.
AI-accelerated protein-ligand docking for SARS-CoV-2 is 100-fold faster with no significant change in detection.
Sci Rep;
13(1): 2105, 2023 02 06.
Artigo
em Inglês
| MEDLINE
| ID: mdl-36747041
3.
A new hourly dataset for photovoltaic energy production for the continental USA.
Data Brief;
40: 107824, 2022 Feb.
Artigo
em Inglês
| MEDLINE
| ID: mdl-35141367
4.
Pandemic drugs at pandemic speed: infrastructure for accelerating COVID-19 drug discovery with hybrid machine learning- and physics-based simulations on high-performance computers.
Interface Focus;
11(6): 20210018, 2021 Dec 06.
Artigo
em Inglês
| MEDLINE
| ID: mdl-34956592
5.
Adaptive distributed replica-exchange simulations.
Philos Trans A Math Phys Eng Sci;
367(1897): 2595-606, 2009 Jun 28.
Artigo
em Inglês
| MEDLINE
| ID: mdl-19451113