Detalhe da pesquisa
1.
PLIP 2021: expanding the scope of the protein-ligand interaction profiler to DNA and RNA.
Nucleic Acids Res
; 49(W1): W530-W534, 2021 07 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-33950214
2.
UniLectin3D, a database of carbohydrate binding proteins with curated information on 3D structures and interacting ligands.
Nucleic Acids Res
; 47(D1): D1236-D1244, 2019 01 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-30239928
3.
Repositioned Drugs for Chagas Disease Unveiled via Structure-Based Drug Repositioning.
Int J Mol Sci
; 21(22)2020 Nov 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-33233837
4.
Computational Drug Repositioning for Chagas Disease Using Protein-Ligand Interaction Profiling.
Int J Mol Sci
; 21(12)2020 Jun 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-32560043
5.
Backbone Brackets and Arginine Tweezers delineate Class I and Class II aminoacyl tRNA synthetases.
PLoS Comput Biol
; 14(4): e1006101, 2018 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-29659563
6.
MAGPIE: Simplifying access and execution of computational models in the life sciences.
PLoS Comput Biol
; 13(12): e1005898, 2017 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-29244826
7.
PLIP: fully automated protein-ligand interaction profiler.
Nucleic Acids Res
; 43(W1): W443-7, 2015 Jul 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-25873628
8.
Structural binding site comparisons reveal Crizotinib as a novel LRRK2 inhibitor.
Comput Struct Biotechnol J
; 19: 3674-3681, 2021.
Artigo
em Inglês
| MEDLINE | ID: mdl-34285770
9.
The structural basis of the genetic code: amino acid recognition by aminoacyl-tRNA synthetases.
Sci Rep
; 10(1): 12647, 2020 07 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-32724042
10.
Structure-based drug repositioning explains ibrutinib as VEGFR2 inhibitor.
PLoS One
; 15(5): e0233089, 2020.
Artigo
em Inglês
| MEDLINE | ID: mdl-32459810
11.
Current and Future Roles of Artificial Intelligence in Medicinal Chemistry Synthesis.
J Med Chem
; 63(16): 8667-8682, 2020 08 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-32243158
12.
From malaria to cancer: Computational drug repositioning of amodiaquine using PLIP interaction patterns.
Sci Rep
; 7(1): 11401, 2017 09 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-28900272
13.
Computational Drug Repositioning by Target Hopping: A Use Case in Chagas Disease.
Curr Pharm Des
; 22(21): 3124-34, 2016.
Artigo
em Inglês
| MEDLINE | ID: mdl-26873186
14.
Discovery of Mycobacterium tuberculosis InhA Inhibitors by Binding Sites Comparison and Ligands Prediction.
J Med Chem
; 59(24): 11069-11078, 2016 12 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-27936766
15.
Polypharmacology rescored: protein-ligand interaction profiles for remote binding site similarity assessment.
Prog Biophys Mol Biol
; 116(2-3): 174-86, 2014.
Artigo
em Inglês
| MEDLINE | ID: mdl-24923864