๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

A New Approach to Empirical Intermolecular and Conformational Potential Energy Functions. II. Applications to Crystal Packing, Rotational Barriers, and Conformational Analysis

โœ Scribed by Antony W. Burgess, Lester L. Shipman and Harold A. Scheraga


Book ID
123653059
Publisher
National Academy of Sciences
Year
1975
Tongue
English
Weight
898 KB
Volume
72
Category
Article
ISSN
0027-8424

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


Systematic drug receptor mapping: A new
โœ Lilly Sanathanan; Elizabeth Danaher; Ki-Hwan Kim; Yvonne Martin ๐Ÿ“‚ Article ๐Ÿ“… 1987 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 755 KB

The computer program PRODIS is used to find low energy conformations of flexible molecules by searching the potential energy surface(s) of one or more torsion angles via rigid rotation. The n-dimensional grid of energy versus torsion angles is then converted to a Boltzman probability distribution, w