Detalhe da pesquisa
1.
Benchmarking the performance of MM/PBSA in virtual screening enrichment using the GPCR-Bench dataset.
J Comput Aided Mol Des
; 34(11): 1133-1145, 2020 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-32851579
2.
Evaluating the performance of MM/PBSA for binding affinity prediction using class A GPCR crystal structures.
J Comput Aided Mol Des
; 33(5): 487-496, 2019 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-30989574
3.
Ligand discrimination during virtual screening of the CB1 cannabinoid receptor crystal structures following cross-docking and microsecond molecular dynamics simulations.
RSC Adv
; 9(28): 15949-15956, 2019 May 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-35521393
4.
Assessing GPCR homology models constructed from templates of various transmembrane sequence identities: Binding mode prediction and docking enrichment.
J Mol Graph Model
; 80: 38-47, 2018 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-29306746
5.
GPCRs through the keyhole: the role of protein flexibility in ligand binding to ß-adrenoceptors.
J Biomol Struct Dyn
; 35(12): 2604-2619, 2017 Sep.
Artigo
em Inglês
| MEDLINE | ID: mdl-27532213