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This monograph provides a general introduction to advanced computational methods for free energy calculations, from the systematic and rigorous point of view of
Free Energy Calculations
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Free energy constitutes the most important thermodynamic quantity to understand how chemical species recognize each other, associate or react. Examples of probl
Reviews in Computational Chemistry, Volume 28
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The Reviews in Computational Chemistry series brings together leading authorities in the field to teach the newcomer and update the expert on topics centered ar
Free Energy Calculations in Rational Drug Design
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This collection of lectures and tutorial reviews focuses on the common computational approaches in use to unravel the static and dynamical behaviour of complex