ISSN:
1573-4951
Keywords:
Computer simulation
;
Free energy
;
Molecular dynamics
;
Thermodynamic integration
;
Statistical mechanics
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Summary A new and promising development in the field of computer simulation of molecular systems is the socalled thermodynamic cycle integration technique, which combines well-known results from statistical thermodynamics with powerful computer simulation methods. The basic formulas, the development and the applications in the areas of drug design, protein engineering and conformational analysis of this elegant technique are discussed.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF01676960
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