Binding Affinities for Sulfonamide Inhibitors with Human Thrombin Using Monte Carlo Simulations with a Linear Response Method

1997 ◽  
Vol 40 (10) ◽  
pp. 1539-1549 ◽  
Author(s):  
Deborah K. Jones-Hertzog ◽  
William L. Jorgensen
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Linear Response ◽  
Binding Affinities ◽  
Human Thrombin ◽  
Response Method

Prediction of Binding Affinities for TIBO Inhibitors of HIV-1 Reverse Transcriptase Using Monte Carlo Simulations in a Linear Response Method

1998 ◽  
Vol 41 (26) ◽  
pp. 5272-5286 ◽  
Author(s):  
Richard H. Smith, ◽  
William L. Jorgensen ◽  
Julian Tirado-Rives ◽  
Michelle L. Lamb ◽  
Paul A. J. Janssen ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Reverse Transcriptase ◽  
Monte Carlo Simulations ◽  
Linear Response ◽  
Binding Affinities ◽  
Response Method ◽  
Hiv 1

Estimation of the binding affinities of FKBP12 inhibitors using a linear response method

1999 ◽  
Vol 7 (5) ◽  
pp. 851-860 ◽  
Author(s):  
Michelle L. Lamb ◽  
Julian Tirado-Rives ◽  
William L. Jorgensen
Keyword(s):  
Linear Response ◽  
Binding Affinities ◽  
Response Method

scholarly journals Monte Carlo Simulations for Proteins:  Binding Affinities for Trypsin−Benzamidine Complexes via Free-Energy Perturbations

1997 ◽  
Vol 101 (46) ◽  
pp. 9663-9669 ◽  
Author(s):  
Jonathan W. Essex ◽  
Daniel L. Severance ◽  
Julian Tirado-Rives ◽  
William L. Jorgensen
Keyword(s):  
Monte Carlo ◽  
Free Energy ◽  
Monte Carlo Simulations ◽  
Binding Affinities ◽  
Free Energy Perturbations
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