Detalhe da pesquisa
1.
A cross-study analysis of drug response prediction in cancer cell lines.
Brief Bioinform
; 23(1)2022 01 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-34524425
2.
AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2.
J Chem Inf Model
; 63(5): 1438-1453, 2023 03 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-36808989
3.
#COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol.
Int J High Perform Comput Appl
; 37(1): 28-44, 2023 Jan.
Artigo
em Inglês
| MEDLINE | ID: mdl-36647365
4.
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
5.
Intelligent resolution: Integrating Cryo-EM with AI-driven multi-resolution simulations to observe the severe acute respiratory syndrome coronavirus-2 replication-transcription machinery in action.
Int J High Perform Comput Appl
; 36(5-6): 603-623, 2022 Nov.
Artigo
em Inglês
| MEDLINE | ID: mdl-38464362
6.
Learning curves for drug response prediction in cancer cell lines.
BMC Bioinformatics
; 22(1): 252, 2021 May 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-34001007
7.
AI-driven multiscale simulations illuminate mechanisms of SARS-CoV-2 spike dynamics.
Int J High Perform Comput Appl
; 35(5): 432-451, 2021 Sep.
Artigo
em Inglês
| MEDLINE | ID: mdl-38603008
8.
Deep learning methods for drug response prediction in cancer: Predominant and emerging trends.
Front Med (Lausanne)
; 10: 1086097, 2023.
Artigo
em Inglês
| MEDLINE | ID: mdl-36873878
9.
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
10.
Integration of Computational Docking into Anti-Cancer Drug Response Prediction Models.
Cancers (Basel)
; 16(1)2023 Dec 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-38201477
11.
Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science
; 382(6671): eabo7201, 2023 11 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-37943932
12.
AI for science and global citizens.
Patterns (N Y)
; 3(2): 100446, 2022 Feb 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-35199069
13.
Ultrahigh Throughput Protein-Ligand Docking with Deep Learning.
Methods Mol Biol
; 2390: 301-319, 2022.
Artigo
em Inglês
| MEDLINE | ID: mdl-34731475
14.
GenSLMs: Genome-scale language models reveal SARS-CoV-2 evolutionary dynamics.
bioRxiv
; 2022 Nov 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-36451881
15.
Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease.
J Med Chem
; 64(23): 17366-17383, 2021 12 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-34705466
16.
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
17.
#COVIDisAirborne: AI-Enabled Multiscale Computational Microscopy of Delta SARS-CoV-2 in a Respiratory Aerosol.
bioRxiv
; 2021 Nov 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-34816263