Detalhe da pesquisa
1.
De novo molecular design with deep molecular generative models for PPI inhibitors.
Brief Bioinform
; 23(4)2022 07 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-35830870
2.
Transformer-Based Molecular Generative Model for Antiviral Drug Design.
J Chem Inf Model
; 64(7): 2733-2745, 2024 Apr 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-37366644
3.
Explore drug-like space with deep generative models.
Methods
; 210: 52-59, 2023 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-36682423
4.
Leveraging the Fragment Molecular Orbital and MM-GBSA Methods in Virtual Screening for the Discovery of Novel Non-Covalent Inhibitors Targeting the TEAD Lipid Binding Pocket.
Int J Mol Sci
; 25(10)2024 May 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-38791396
5.
A new class of 1,3,5-triazine-based selective estrogen receptor degraders (SERDs): Lead optimization, molecular docking and dynamic simulation.
Bioorg Chem
; 97: 103666, 2020 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-32088420
6.
Exploring the Conformational Ensembles of Protein-Protein Complex with Transformer-Based Generative Model.
J Chem Theory Comput
; 2024 May 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-38816696
7.
Application of a deep generative model produces novel and diverse functional peptides against microbial resistance.
Comput Struct Biotechnol J
; 21: 463-471, 2023.
Artigo
em Inglês
| MEDLINE | ID: mdl-36618982
8.
Development of an innovative data-driven system to generate descriptive prediction equation of dielectric constant on small sample sets.
Heliyon
; 8(8): e10011, 2022 Aug.
Artigo
em Inglês
| MEDLINE | ID: mdl-36016529
9.
Comprehensive strategies of machine-learning-based quantitative structure-activity relationship models.
iScience
; 24(9): 103052, 2021 Sep 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-34553136
10.
Seeking mTORC1 Inhibitors Through Molecular Dynamics Simulation of Arginine Analogs Inhibiting CASTOR1.
Cancer Genomics Proteomics
; 16(6): 465-479, 2019.
Artigo
em Inglês
| MEDLINE | ID: mdl-31659101