Search Result "linear interaction energy (LIE)"
Linear Interaction Energy (LIE) Method in Lead Discovery and Optimization
Journal: Current Drug Targets
Volume: 9 Issue: 1 Year: 2008 Page: 1100-1105
Author(s): Hermes Luis Neubauer de Amorim, Rafael Andrade Caceres, Paulo Augusto Netz
The Linear Interaction Energy Method for Predicting Ligand Binding Free Energies
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 4 Issue: 8 Year: 2001 Page: 613-626
Author(s): Johan Aqvist, John Marelius
Estimation of the Binding Free Energy by Linear Interaction Energy Models
Journal: Mini-Reviews in Medicinal Chemistry
Volume: 12 Issue: 6 Year: 2012 Page: 551-561
Author(s): O. Nicolotti,M. Convertino,F. Leonetti,M. Catto,S. Cellamare,A. Carotti
Comparison of performance of docking, LIE, metadynamics and QSAR in predicting binding affinity of benzenesulfonamides
Journal: Current Computer-Aided Drug Design
Volume: 11 Issue: 3 Year: 2015 Page: 237-244
Author(s): Vytautas RaÅ¡keviÄius,Visvaldas Kairys
Recent Advances in ProteinâLigand Interactions: Molecular Dynamics Simulations and Binding Free Energy
Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 4 Year: 2013 Page: 518-531
Author(s): Kshatresh Dutta Dubey,Rakesh Kumar Tiwari,Rajendra Prasad Ojha
Free Energy Calculations to Estimate Ligand-Binding Affinities in Structure-Based Drug Design
Journal: Current Pharmaceutical Design
Volume: 20 Issue: 20 Year: 2014 Page: 3323-3337
Author(s): M. Rami Reddy,C. Ravikumar Reddy,R. S. Rathore,Mark D. Erion,P. Aparoy,R. Nageswara Reddy,P. Reddanna
Towards Predictive Ligand Design With Free-Energy Based Computational Methods?
Journal: Current Medicinal Chemistry
Volume: 13 Issue: 2 Year: 2006 Page: 3583-3608
Author(s): N. Foloppe, R. Hubbard
Protein: Ligand Recognition: Simple Models for Electrostatic Effects
Journal: Current Pharmaceutical Design
Volume: 19 Issue: 2 Year: 2013 Page: 4241-4256
Author(s): Thomas Simonson
Overview of Binding Free Energy Calculation Techniques for Elucidation of Biological Processes and for Drug Discovery
Journal: Medicinal Chemistry
Volume: 11 Issue: 3 Year: 2015 Page: 248-253
Author(s): Takeshi Ashida, Takeshi Kikuchi
A Review of Monoamine Transporter-Ligand Interactions
Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 4 Year: 2013 Page: 556-568
Author(s): Kalyan Immadisetty,Jeffry D. Madura