Detalhe da pesquisa
1.
DeepRank-GNN: a graph neural network framework to learn patterns in protein-protein interfaces.
Bioinformatics
; 39(1)2023 01 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-36420989
2.
Discriminating physiological from non-physiological interfaces in structures of protein complexes: A community-wide study.
Proteomics
; 23(17): e2200323, 2023 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-37365936
3.
Prediction of protein assemblies, the next frontier: The CASP14-CAPRI experiment.
Proteins
; 89(12): 1800-1823, 2021 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-34453465
4.
Shape-Restrained Modeling of Protein-Small-Molecule Complexes with High Ambiguity Driven DOCKing.
J Chem Inf Model
; 61(9): 4807-4818, 2021 09 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-34436890
5.
High Impact: The Role of Promiscuous Binding Sites in Polypharmacology.
Molecules
; 24(14)2019 Jul 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-31295958
6.
Predicting the affinity of Farnesoid X Receptor ligands through a hierarchical ranking protocol: a D3R Grand Challenge 2 case study.
J Comput Aided Mol Des
; 32(1): 231-238, 2018 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-28913743
7.
Review of in silico studies dedicated to the nuclear receptor family: Therapeutic prospects and toxicological concerns.
Front Endocrinol (Lausanne)
; 13: 986016, 2022.
Artigo
em Inglês
| MEDLINE | ID: mdl-36176461
8.
DeepRank: a deep learning framework for data mining 3D protein-protein interfaces.
Nat Commun
; 12(1): 7068, 2021 12 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-34862392
9.
Hits Discovery on the Androgen Receptor: In Silico Approaches to Identify Agonist Compounds.
Cells
; 8(11)2019 11 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-31766271
10.
Nuclear Receptors Database Including Negative Data (NR-DBIND): A Database Dedicated to Nuclear Receptors Binding Data Including Negative Data and Pharmacological Profile.
J Med Chem
; 62(6): 2894-2904, 2019 03 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-30354114
11.
Decoys Selection in Benchmarking Datasets: Overview and Perspectives.
Front Pharmacol
; 9: 11, 2018.
Artigo
em Inglês
| MEDLINE | ID: mdl-29416509
12.
Discriminating Agonist from Antagonist Ligands of the Nuclear Receptors Using Different Chemoinformatics Approaches.
Mol Inform
; 36(10)2017 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-28671755