Detalhe da pesquisa
1.
Proteome plasticity in response to persistent environmental change.
Mol Cell
; 81(16): 3294-3309.e12, 2021 08 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-34293321
2.
BigNeuron: a resource to benchmark and predict performance of algorithms for automated tracing of neurons in light microscopy datasets.
Nat Methods
; 20(6): 824-835, 2023 Jun.
Artigo
em Inglês
| MEDLINE | ID: mdl-37069271
3.
Machine learning-driven multiscale modeling reveals lipid-dependent dynamics of RAS signaling proteins.
Proc Natl Acad Sci U S A
; 119(1)2022 01 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-34983849
4.
Model certainty in cellular network-driven processes with missing data.
PLoS Comput Biol
; 19(4): e1011004, 2023 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-37099625
5.
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
6.
Uncovering a membrane-distal conformation of KRAS available to recruit RAF to the plasma membrane.
Proc Natl Acad Sci U S A
; 117(39): 24258-24268, 2020 09 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-32913056
7.
#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
8.
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
9.
Mechanism of glucocerebrosidase activation and dysfunction in Gaucher disease unraveled by molecular dynamics and deep learning.
Proc Natl Acad Sci U S A
; 116(11): 5086-5095, 2019 03 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-30808805
10.
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
11.
Biochemical and structural analyses reveal that the tumor suppressor neurofibromin (NF1) forms a high-affinity dimer.
J Biol Chem
; 295(4): 1105-1119, 2020 01 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-31836666
12.
Uncertainty-Informed Deep Transfer Learning of Perfluoroalkyl and Polyfluoroalkyl Substance Toxicity.
J Chem Inf Model
; 61(12): 5793-5803, 2021 12 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-34905348
13.
Dynamic Profiling of ß-Coronavirus 3CL Mpro Protease Ligand-Binding Sites.
J Chem Inf Model
; 61(6): 3058-3073, 2021 06 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-34124899
14.
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
15.
The Aging Metabolome-Biomarkers to Hub Metabolites.
Proteomics
; 20(5-6): e1800407, 2020 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-32068959
16.
Cardiolipin-Dependent Properties of Model Mitochondrial Membranes from Molecular Simulations.
Biophys J
; 117(3): 429-444, 2019 08 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-31349988
17.
ANCA: Anharmonic Conformational Analysis of Biomolecular Simulations.
Biophys J
; 114(9): 2040-2043, 2018 05 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-29742397
18.
Deep clustering of protein folding simulations.
BMC Bioinformatics
; 19(Suppl 18): 484, 2018 Dec 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-30577777
19.
Scalable deep text comprehension for Cancer surveillance on high-performance computing.
BMC Bioinformatics
; 19(Suppl 18): 488, 2018 Dec 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-30577743
20.
Modulating Enzyme Activity by Altering Protein Dynamics with Solvent.
Biochemistry
; 57(29): 4263-4275, 2018 07 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-29901984