Detalhe da pesquisa
1.
Polarizable Water Potential Derived from a Model Electron Density.
J Chem Theory Comput
; 17(11): 7056-7084, 2021 Nov 09.
Artigo
Inglês
| MEDLINE | ID: mdl-34699197
2.
Choice of Adaptive Sampling Strategy Impacts State Discovery, Transition Probabilities, and the Apparent Mechanism of Conformational Changes.
J Chem Theory Comput
; 14(11): 5459-5475, 2018 Nov 13.
Artigo
Inglês
| MEDLINE | ID: mdl-30240203
3.
Identification, Characterization and Molecular Modelling Studies of Schistosoma mansoni Dihydrofolate Reductase Inhibitors: From Assay Development to Hit Identification.
Curr Top Med Chem
; 18(5): 406-417, 2018.
Artigo
Inglês
| MEDLINE | ID: mdl-29741139