๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Workshop on free energy calculations in chemical and biological systems

Book ID
103637901
Publisher
Elsevier Science
Year
1991
Tongue
English
Weight
355 KB
Volume
9
Category
Article
ISSN
0263-7855

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๐Ÿ“œ SIMILAR VOLUMES

Methods for calculating the absolute ent
Methods for calculating the absolute entropy and free energy of biological systems based on ideas from polymer physics
โœ Hagai Meirovitch ๐Ÿ“‚ Article ๐Ÿ“… 2009 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 655 KB

## Abstract The commonly used simulation techniques, Metropolis Monte Carlo (MC) and molecular dynamics (MD) are of a dynamical type which enables one to sample system configurations __i__ correctly with the Boltzmann probability, __P__, while the __value__ of __P__ is not provided directly; theref

Energy conversion in biological systemsโ€”
Energy conversion in biological systemsโ€”part I. chemical reactions and ion transport
โœ Richard E. Plant; John M. Horowitz ๐Ÿ“‚ Article ๐Ÿ“… 1979 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 683 KB

Constitutive equations for nonisothermal chemical reactions are derived with attention to temperature dependent parameters. Equations are also developed for the coupling of chemical reactions to ion transport. The equations are shown to be consistent with the laws of thermodynamics.

Exhaustive mutagenesis in silico: Multic
Exhaustive mutagenesis in silico: Multicoordinate free energy calculations on proteins and peptides
โœ Jed W. Pitera; Peter A. Kollman ๐Ÿ“‚ Article ๐Ÿ“… 2000 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 241 KB

We have extended and applied a multicoordinate free energy method, chemical Monte Carlo/Molecular Dynamics (CMC/MD), to calculate the relative free energies of different amino acid side-chains. CMC/MD allows the calculation of the relative free energies for many chemical species from a single free e