Binding affinity prediction with different force fields: Examination of the linear interaction energy method

2004 ◽  
Vol 25 (10) ◽  
pp. 1242-1254 ◽  
Author(s):  
Martin Almlöf ◽  
BjØrn O. Brandsdal ◽  
Johan Åqvist
Keyword(s):  
Interaction Energy ◽  
Binding Affinity ◽  
Energy Method ◽  
Force Fields ◽  
Linear Interaction ◽  
Binding Affinity Prediction ◽  
Linear Interaction Energy ◽  
Affinity Prediction

scholarly journals Towards Automated Binding Affinity Prediction Using an Iterative Linear Interaction Energy Approach

2014 ◽  
Vol 15 (1) ◽  
pp. 798-816 ◽  
Author(s):  
C. Ruben Vosmeer ◽  
René Pool ◽  
Mariël van Stee ◽  
Lovorka Perić-Hassler ◽  
Nico Vermeulen ◽  
...  
Keyword(s):  
Interaction Energy ◽  
Binding Affinity ◽  
Energy Approach ◽  
Linear Interaction ◽  
Binding Affinity Prediction ◽  
Linear Interaction Energy ◽  
Affinity Prediction

Atomistic Prediction of Sorption Free Energies of Cationic Aromatic Amines on Montmorillonite: A Linear Interaction Energy Method

2014 ◽  
Vol 1 (6) ◽  
pp. 284-289 ◽  
Author(s):  
Milinda Samaraweera ◽  
William Jolin ◽  
Dharni Vasudevan ◽  
Allison A. MacKay ◽  
José A. Gascón
Keyword(s):  
Interaction Energy ◽  
Energy Method ◽  
Aromatic Amines ◽  
Free Energies ◽  
Linear Interaction ◽  
Linear Interaction Energy
Sign in / Sign up

Export Citation Format

Share Document