Detalhe da pesquisa
1.
A cross-study analysis of drug response prediction in cancer cell lines.
Brief Bioinform
; 23(1)2022 01 17.
Artigo
Inglês
| MEDLINE | ID: mdl-34524425
2.
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
Inglês
| MEDLINE | ID: mdl-32794768
3.
Advances in Computational Approaches for Estimating Passive Permeability in Drug Discovery.
Membranes (Basel)
; 13(11)2023 Oct 25.
Artigo
Inglês
| MEDLINE | ID: mdl-37999336
4.
Atomistic Characterization of Gramicidin Channel Formation.
J Chem Theory Comput
; 17(1): 7-12, 2021 Jan 12.
Artigo
Inglês
| MEDLINE | ID: mdl-33378617
5.
Discovery of Small-Molecule Inhibitors of SARS-CoV-2 Proteins Using a Computational and Experimental Pipeline.
Front Mol Biosci
; 8: 678701, 2021.
Artigo
Inglês
| MEDLINE | ID: mdl-34327214
6.
Assessing the Perturbing Effects of Drugs on Lipid Bilayers Using Gramicidin Channel-Based In Silico and In Vitro Assays.
J Med Chem
; 63(20): 11809-11818, 2020 10 22.
Artigo
Inglês
| MEDLINE | ID: mdl-32945672