ISSN:
1573-4951
Schlagwort(e):
Computer simulation
;
Free energy
;
Molecular dynamics
;
Thermodynamic integration
;
Statistical mechanics
Quelle:
Springer Online Journal Archives 1860-2000
Thema:
Chemie und Pharmazie
Notizen:
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.
Materialart:
Digitale Medien
URL:
http://dx.doi.org/10.1007/BF01676960
Permalink