Detalhe da pesquisa
1.
Virtual screening web servers: designing chemical probes and drug candidates in the cyberspace.
Brief Bioinform
; 22(2): 1790-1818, 2021 03 22.
Artigo
Inglês
| MEDLINE | ID: mdl-32187356
2.
A Hybrid Docking and Machine Learning Approach to Enhance the Performance of Virtual Screening Carried out on Protein-Protein Interfaces.
Int J Mol Sci
; 23(22)2022 Nov 18.
Artigo
Inglês
| MEDLINE | ID: mdl-36430841
3.
FastTargetPred: a program enabling the fast prediction of putative protein targets for input chemical databases.
Bioinformatics
; 36(14): 4225-4226, 2020 08 15.
Artigo
Inglês
| MEDLINE | ID: mdl-32399567
4.
Fast Rescoring Protocols to Improve the Performance of Structure-Based Virtual Screening Performed on Protein-Protein Interfaces.
J Chem Inf Model
; 60(8): 3910-3934, 2020 08 24.
Artigo
Inglês
| MEDLINE | ID: mdl-32786511
5.
Insights into the Structure, Function, and Ligand Discovery of the Large Neutral Amino Acid Transporter 1, LAT1.
Int J Mol Sci
; 19(5)2018 Apr 24.
Artigo
Inglês
| MEDLINE | ID: mdl-29695141
6.
Discovery of Potent Inhibitors for the Large Neutral Amino Acid Transporter 1 (LAT1) by Structure-Based Methods.
Int J Mol Sci
; 20(1)2018 Dec 21.
Artigo
Inglês
| MEDLINE | ID: mdl-30577601
7.
Kinase signaling as a drug target modality for regulation of vascular hyperpermeability: A case for ARDS therapy development.
Drug Discov Today
; 27(5): 1448-1456, 2022 05.
Artigo
Inglês
| MEDLINE | ID: mdl-35085784
8.
A toolkit for covalent docking with GOLD: from automated ligand preparation with KNIME to bound protein-ligand complexes.
Bioinform Adv
; 2(1): vbac090, 2022.
Artigo
Inglês
| MEDLINE | ID: mdl-36699353
9.
The first laminin G-like domain of protein S is essential for binding and activation of Tyro3 receptor and intracellular signalling.
Biochem Biophys Rep
; 30: 101263, 2022 Jul.
Artigo
Inglês
| MEDLINE | ID: mdl-35518197
10.
Resources and computational strategies to advance small molecule SARS-CoV-2 discovery: Lessons from the pandemic and preparing for future health crises.
Comput Struct Biotechnol J
; 19: 2537-2548, 2021.
Artigo
Inglês
| MEDLINE | ID: mdl-33936562
11.
Demystifying the Molecular Basis of Pyrazoloquinolinones Recognition at the Extracellular α1+/ß3- Interface of the GABAA Receptor by Molecular Modeling.
Front Pharmacol
; 11: 561834, 2020.
Artigo
Inglês
| MEDLINE | ID: mdl-33041802
12.
Structure-based drug repositioning over the human TMPRSS2 protease domain: search for chemical probes able to repress SARS-CoV-2 Spike protein cleavages.
Eur J Pharm Sci
; 153: 105495, 2020 Oct 01.
Artigo
Inglês
| MEDLINE | ID: mdl-32730844
13.
Rigorous sampling of docking poses unveils binding hypothesis for the halogenated ligands of L-type Amino acid Transporter 1 (LAT1).
Sci Rep
; 9(1): 15061, 2019 10 21.
Artigo
Inglês
| MEDLINE | ID: mdl-31636293
14.
Translation Termination Factor GSPT1 Is a Phenotypically Relevant Off-Target of Heterobifunctional Phthalimide Degraders.
ACS Chem Biol
; 13(3): 553-560, 2018 03 16.
Artigo
Inglês
| MEDLINE | ID: mdl-29356495