Free Energy Calculations in Rational Drug Design Edited by M. Rami Reddy and Mark D. Erion. Kluwer Academic/Plenum Publishers, New York. 2001. xxiii + 384 pp. 17 × 25.5 cm. ISBN 0-306-46667-7. $110.00

2003 ◽  
Vol 46 (11) ◽  
pp. 2259-2260
Keyword(s):  
New York ◽  
Free Energy ◽  
Drug Design ◽  
Free Energy Calculations ◽  
Rational Drug Design ◽  
Energy Calculations ◽  
Rational Drug

scholarly journals Alchemical Absolute Protein-Ligand Binding Free Energies for Drug Design

2021 ◽  
Author(s):  
Yuriy Khalak ◽  
Gary Tresdern ◽  
Matteo Aldeghi ◽  
Hannah Magdalena Baumann ◽  
David L. Mobley ◽  
...  
Keyword(s):  
Free Energy ◽  
Drug Discovery ◽  
Drug Design ◽  
Ligand Binding ◽  
Binding Free Energy ◽  
Free Energy Calculations ◽  
Free Energies ◽  
Energy Calculations ◽  
Binding Free Energy Calculations ◽  
Binding Free Energies

The recent advances in relative protein-ligand binding free energy calculations have shown the value of alchemical methods in drug discovery. Accurately assessing absolute binding free energies, although highly desired, remains...

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2010 ◽  
Vol 29 (8-9) ◽  
pp. 570-578 ◽  
Author(s):  
Julien Michel ◽  
Nicolas Foloppe ◽  
Jonathan W. Essex
Keyword(s):  
Free Energy ◽  
Drug Design ◽  
Free Energy Calculations ◽  
Structure Based Drug Design ◽  
Energy Calculations

In-silico Methods of Drug Design: Molecular Simulations and Free Energy Calculations

2019 ◽  
pp. 521-533 ◽  
Author(s):  
Fortunatus Chidolue Ezebuo ◽  
Prem P. Kushwaha ◽  
Atul K. Singh ◽  
Shashank Kumar ◽  
Pushpendra Singh
Keyword(s):  
Free Energy ◽  
Drug Design ◽  
In Silico ◽  
Molecular Simulations ◽  
Free Energy Calculations ◽  
Energy Calculations ◽  
In Silico Methods
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