Detalhe da pesquisa
1.
Clustering Protein Binding Pockets and Identifying Potential Drug Interactions: A Novel Ligand-Based Featurization Method.
J Chem Inf Model
; 63(21): 6655-6666, 2023 11 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-37847557
2.
Pose Classification Using Three-Dimensional Atomic Structure-Based Neural Networks Applied to Ion Channel-Ligand Docking.
J Chem Inf Model
; 62(10): 2301-2315, 2022 05 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-35447030
3.
MACAW: An Accessible Tool for Molecular Embedding and Inverse Molecular Design.
J Chem Inf Model
; 62(15): 3551-3564, 2022 08 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-35857932
4.
Improved Protein-Ligand Binding Affinity Prediction with Structure-Based Deep Fusion Inference.
J Chem Inf Model
; 61(4): 1583-1592, 2021 04 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-33754707
5.
Machine Learning Models to Predict Inhibition of the Bile Salt Export Pump.
J Chem Inf Model
; 61(2): 587-602, 2021 02 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-33502191
6.
Binding Affinity Prediction by Pairwise Function Based on Neural Network.
J Chem Inf Model
; 60(6): 2766-2772, 2020 06 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-32338892
7.
Predicting Small Molecule Transfer Free Energies by Combining Molecular Dynamics Simulations and Deep Learning.
J Chem Inf Model
; 60(11): 5375-5381, 2020 11 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-32794768
8.
AMPL: A Data-Driven Modeling Pipeline for Drug Discovery.
J Chem Inf Model
; 60(4): 1955-1968, 2020 04 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-32243153
9.
Predicting tumor cell line response to drug pairs with deep learning.
BMC Bioinformatics
; 19(Suppl 18): 486, 2018 Dec 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-30577754
10.
Using populations of human and microbial genomes for organism detection in metagenomes.
Genome Res
; 25(7): 1056-67, 2015 Jul.
Artigo
em Inglês
| MEDLINE | ID: mdl-25926546
11.
Metagenomic analysis of the airborne environment in urban spaces.
Microb Ecol
; 69(2): 346-55, 2015 Feb.
Artigo
em Inglês
| MEDLINE | ID: mdl-25351142
12.
Microbial profiling of combat wound infection through detection microarray and next-generation sequencing.
J Clin Microbiol
; 52(7): 2583-94, 2014 Jul.
Artigo
em Inglês
| MEDLINE | ID: mdl-24829242
13.
Scalable metagenomic taxonomy classification using a reference genome database.
Bioinformatics
; 29(18): 2253-60, 2013 Sep 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-23828782
14.
Differential laboratory passaging of SARS-CoV-2 viral stocks impacts the in vitro assessment of neutralizing antibodies.
PLoS One
; 19(1): e0289198, 2024.
Artigo
em Inglês
| MEDLINE | ID: mdl-38271318
15.
Ultra-deep mutant spectrum profiling: improving sequencing accuracy using overlapping read pairs.
BMC Genomics
; 14: 96, 2013 Feb 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-23402258
16.
Evaluating point-prediction uncertainties in neural networks for protein-ligand binding prediction.
Artif Intell Chem
; 1(1)2023 Jun.
Artigo
em Inglês
| MEDLINE | ID: mdl-37583465
17.
A Computational Pipeline to Identify and Characterize Binding Sites and Interacting Chemotypes in SARS-CoV-2.
ACS Omega
; 8(24): 21871-21884, 2023 Jun 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-37309388
18.
Metagenomic Methods for Addressing NASA's Planetary Protection Policy Requirements on Future Missions: A Workshop Report.
Astrobiology
; 23(8): 897-907, 2023 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-37102710
19.
PDBspheres: a method for finding 3D similarities in local regions in proteins.
NAR Genom Bioinform
; 4(4): lqac078, 2022 Dec.
Artigo
em Inglês
| MEDLINE | ID: mdl-36225529
20.
Accelerators for Classical Molecular Dynamics Simulations of Biomolecules.
J Chem Theory Comput
; 18(7): 4047-4069, 2022 Jul 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-35710099