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.
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
3.
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
4.
Blinded evaluation of cathepsin S inhibitors from the D3RGC3 dataset using molecular docking and free energy calculations.
J Comput Aided Mol Des
; 33(1): 93-103, 2019 01.
Artigo
Inglês
| MEDLINE | ID: mdl-30206740
5.
Performance evaluation of molecular docking and free energy calculations protocols using the D3R Grand Challenge 4 dataset.
J Comput Aided Mol Des
; 33(12): 1031-1043, 2019 12.
Artigo
Inglês
| MEDLINE | ID: mdl-31677003
6.
Topology-Selective, Fluorescent "Light-Up" Probes for G-Quadruplex DNA Based on Photoinduced Electron Transfer.
Chemistry
; 24(48): 12638-12651, 2018 Aug 27.
Artigo
Inglês
| MEDLINE | ID: mdl-29878408
7.
Integrated High-Throughput Screening and Large-Scale Isobolographic Analysis to Accelerate the Discovery of Radiosensitizers With Greater Selectivity for Cancer Cells.
Int J Radiat Oncol Biol Phys
; 118(5): 1294-1307, 2024 Apr 01.
Artigo
Inglês
| MEDLINE | ID: mdl-37778425
8.
Discovery, Structure-Activity Relationships, and In Vivo Activity of Dihydropyridone Agonists of the Bile Acid Receptor TGR5.
J Med Chem
; 66(17): 11732-11760, 2023 09 14.
Artigo
Inglês
| MEDLINE | ID: mdl-37639383
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.
High-Throughput Image-Based Aggresome Quantification.
SLAS Discov
; 25(7): 783-791, 2020 08.
Artigo
Inglês
| MEDLINE | ID: mdl-32449635
11.
Identification of New Potent Acetylcholinesterase Inhibitors Using Virtual Screening and in vitro Approaches.
Mol Inform
; 38(5): e1800118, 2019 05.
Artigo
Inglês
| MEDLINE | ID: mdl-30725535
12.
Efficient conformational sampling and weak scoring in docking programs? Strategy of the wisdom of crowds.
J Cheminform
; 9(1): 37, 2017 Jun 12.
Artigo
Inglês
| MEDLINE | ID: mdl-29086077
13.
Benchmark of four popular virtual screening programs: construction of the active/decoy dataset remains a major determinant of measured performance.
J Cheminform
; 8: 56, 2016.
Artigo
Inglês
| MEDLINE | ID: mdl-27803745
14.
vSDC: a method to improve early recognition in virtual screening when limited experimental resources are available.
J Cheminform
; 8: 1, 2016.
Artigo
Inglês
| MEDLINE | ID: mdl-26807156
15.
Lipase hydration state in the gas phase: sorption isotherm measurements and inverse gas chromatography.
Biotechnol J
; 5(11): 1216-25, 2010 Nov.
Artigo
Inglês
| MEDLINE | ID: mdl-21058322