𝔖 Bobbio Scriptorium
✦   LIBER   ✦

A Comparison of Alternative Approaches to Free Energy Calculations

✍ Scribed by Pearlman, David A.

Book ID
115508373
Publisher
American Chemical Society
Year
1994
Tongue
English
Weight
824 KB
Volume
98
Category
Article
ISSN
0022-3654

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Empirical free energy calculation: Compa
Empirical free energy calculation: Comparison to calorimetric data
✍ Zhiping Weng; Charles Delisi; Sandor Vajda πŸ“‚ Article πŸ“… 1997 πŸ› Cold Spring Harbor Laboratory Press 🌐 English βš– 983 KB

## Abstract An effective free energy potential, developed originally for binding free energy calculation, is compared to calorimetric data on protein unfolding, described by a linear combination of changes in polar and nonpolar surface areas. The potential consists of a molecular mechanics energy t

Calculation of free energy landscapes: A
Calculation of free energy landscapes: A histogram reweighted metadynamics approach
✍ Jens Smiatek; Andreas Heuer πŸ“‚ Article πŸ“… 2011 πŸ› John Wiley and Sons 🌐 English βš– 594 KB

## Abstract We present an efficient method for the calculation of free energy landscapes. Our approach involves a history‐dependent bias potential, which is evaluated on a grid. The corresponding free energy landscape is constructed via a histogram reweighting procedure __a posteriori__. Because of