Detalhe da pesquisa
1.
MILCDock: Machine Learning Enhanced Consensus Docking for Virtual Screening in Drug Discovery.
J Chem Inf Model
; 62(22): 5342-5350, 2022 11 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-36342217
2.
Modeling SARS-CoV-2 proteins in the CASP-commons experiment.
Proteins
; 89(12): 1987-1996, 2021 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-34462960
3.
Evaluation of Deep Neural Network ProSPr for Accurate Protein Distance Predictions on CASP14 Targets.
Int J Mol Sci
; 22(23)2021 Nov 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-34884640
4.
Context-Dependent Stabilizing Interactions among Solvent-Exposed Residues along the Surface of a Trimeric Helix Bundle.
Biochemistry
; 59(17): 1672-1679, 2020 05 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-32270676
5.
Protein structure refinement with adaptively restrained homologous replicas.
Proteins
; 84 Suppl 1: 302-13, 2016 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-26441154
6.
Rise of the Allotrope Simple Model: Update from 2023 Fall Allotrope Connect.
Drug Discov Today
; 29(4): 103944, 2024 Apr.
Artigo
em Inglês
| MEDLINE | ID: mdl-38460570
7.
TrIPâTransformer Interatomic Potential Predicts Realistic Energy Surface Using Physical Bias.
J Chem Theory Comput
; 20(1): 199-211, 2024 Jan 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-38150692
8.
A probabilistic view of protein stability, conformational specificity, and design.
Sci Rep
; 13(1): 15493, 2023 09 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-37726313
9.
Computational methods to simulate molten salt thermophysical properties.
Commun Chem
; 5(1): 69, 2022 Jun 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-36697757
10.
Self-reporting data assets and their representation in the pharmaceutical industry.
Drug Discov Today
; 27(1): 207-214, 2022 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-34332096
11.
Training undergraduate research assistants with an outcome-oriented and skill-based mentoring strategy.
Acta Crystallogr D Struct Biol
; 78(Pt 8): 936-944, 2022 Aug 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-35916219
12.
The whole is greater than its parts: ensembling improves protein contact prediction.
Sci Rep
; 11(1): 8039, 2021 04 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-33850214
13.
Coming of age of Allotrope: Proceedings from the Fall 2020 Allotrope Connect.
Drug Discov Today
; 26(8): 1922-1928, 2021 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-33831582
14.
World trends in sugar-sweetened beverage and dietary sugar intakes in children and adolescents: a systematic review.
Nutr Rev
; 79(3): 274-288, 2021 02 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-32984896
15.
Engineering and application of a biosensor with focused ligand specificity.
Nat Commun
; 11(1): 4851, 2020 09 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-32978386
16.
Integrated NMR, Fluorescence, and Molecular Dynamics Benchmark Study of Protein Mechanics and Hydrodynamics.
J Phys Chem B
; 123(7): 1453-1480, 2019 02 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-30525615
17.
Coupling an Ensemble of Homologues Improves Refinement of Protein Homology Models.
J Chem Theory Comput
; 11(12): 5578-82, 2015 Dec 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-26642980