Detalhe da pesquisa
1.
Strain-Dependent Activation and Inhibition of Human Immunodeficiency Virus Entry by a Specific PF-68742 Stereoisomer.
J Virol
; 93(21)2019 11 01.
Artigo
Inglês
| MEDLINE | ID: mdl-31391272
2.
Acetylcholine promotes binding of α-conotoxin MII at α3 ß2 nicotinic acetylcholine receptors.
Chembiochem
; 15(3): 413-24, 2014 Feb 10.
Artigo
Inglês
| MEDLINE | ID: mdl-24420650
3.
An ionic liquid dependent mechanism for base catalyzed ß-elimination reactions from QM/MM simulations.
J Am Chem Soc
; 135(3): 1065-72, 2013 Jan 23.
Artigo
Inglês
| MEDLINE | ID: mdl-23273322
4.
Optimal scaling factors for CM1 and CM3 atomic charges in RM1-based aqueous simulations.
J Comput Chem
; 32(13): 2836-42, 2011 Oct.
Artigo
Inglês
| MEDLINE | ID: mdl-21732390
5.
Computational insight into small molecule inhibition of cyclophilins.
J Chem Inf Model
; 51(2): 475-82, 2011 Feb 28.
Artigo
Inglês
| MEDLINE | ID: mdl-21194235
6.
Computational evaluations of charge coupling and hydrogen bonding in the active site of a family 7 cellobiohydrolase.
J Phys Chem B
; 118(2): 434-48, 2014 Jan 16.
Artigo
Inglês
| MEDLINE | ID: mdl-24359013
7.
Identification of HIV inhibitors guided by free energy perturbation calculations.
Curr Pharm Des
; 18(9): 1199-216, 2012.
Artigo
Inglês
| MEDLINE | ID: mdl-22316150
8.
Development of OPLS-AA Force Field Parameters for 68 Unique Ionic Liquids.
J Chem Theory Comput
; 5(4): 1038-50, 2009 Apr 14.
Artigo
Inglês
| MEDLINE | ID: mdl-26609613