Detalhe da pesquisa
1.
Prediction of the Drug-Target Binding Kinetics for Flexible Proteins by Comparative Binding Energy Analysis.
J Chem Inf Model
; 61(7): 3708-3721, 2021 07 26.
Artigo
Inglês
| MEDLINE | ID: mdl-34197096
2.
A workflow for exploring ligand dissociation from a macromolecule: Efficient random acceleration molecular dynamics simulation and interaction fingerprint analysis of ligand trajectories.
J Chem Phys
; 153(12): 125102, 2020 Sep 28.
Artigo
Inglês
| MEDLINE | ID: mdl-33003755
3.
Extending BioMASS to construct mathematical models from external knowledge.
Bioinform Adv
; 4(1): vbae042, 2024.
Artigo
Inglês
| MEDLINE | ID: mdl-38606187