Detalhe da pesquisa
1.
Modulating the voltage sensor of a cardiac potassium channel shows antiarrhythmic effects.
Proc Natl Acad Sci U S A
; 118(20)2021 05 18.
Artigo
Inglês
| MEDLINE | ID: mdl-33990467
2.
Performance of MDockPP in CAPRI rounds 28-29 and 31-35 including the prediction of water-mediated interactions.
Proteins
; 85(3): 424-434, 2017 03.
Artigo
Inglês
| MEDLINE | ID: mdl-27802576
3.
Iterative Knowledge-Based Scoring Functions Derived from Rigid and Flexible Decoy Structures: Evaluation with the 2013 and 2014 CSAR Benchmarks.
J Chem Inf Model
; 56(6): 1013-21, 2016 06 27.
Artigo
Inglês
| MEDLINE | ID: mdl-26389744
4.
A Bayesian statistical approach of improving knowledge-based scoring functions for protein-ligand interactions.
J Comput Chem
; 35(12): 932-43, 2014 May 05.
Artigo
Inglês
| MEDLINE | ID: mdl-24623011
5.
Challenges, applications, and recent advances of protein-ligand docking in structure-based drug design.
Molecules
; 19(7): 10150-76, 2014 Jul 11.
Artigo
Inglês
| MEDLINE | ID: mdl-25019558
6.
Inclusion of the orientational entropic effect and low-resolution experimental information for protein-protein docking in Critical Assessment of PRedicted Interactions (CAPRI).
Proteins
; 81(12): 2183-91, 2013 Dec.
Artigo
Inglês
| MEDLINE | ID: mdl-24227686
7.
Automated large-scale file preparation, docking, and scoring: evaluation of ITScore and STScore using the 2012 Community Structure-Activity Resource benchmark.
J Chem Inf Model
; 53(8): 1905-14, 2013 Aug 26.
Artigo
Inglês
| MEDLINE | ID: mdl-23656179
8.
Scoring functions and their evaluation methods for protein-ligand docking: recent advances and future directions.
Phys Chem Chem Phys
; 12(40): 12899-908, 2010 Oct 28.
Artigo
Inglês
| MEDLINE | ID: mdl-20730182
9.
Multiscale generalized born modeling of ligand binding energies for virtual database screening.
J Phys Chem B
; 113(35): 11793-9, 2009 Sep 03.
Artigo
Inglês
| MEDLINE | ID: mdl-19678651
10.
An inverse docking approach for identifying new potential anti-cancer targets.
J Mol Graph Model
; 29(6): 795-9, 2011 Apr.
Artigo
Inglês
| MEDLINE | ID: mdl-21315634