✦ LIBER ✦

A new approach to empirical intermolecular and conformational potential energy functions. III. Application of EPEN to the conformational analysis of 1,2-disubstituted ethanes

✍ Scribed by Burgess, Antony W.; Shipman, Lester L.; Nemenoff, Raphael A.; Scheraga, Harold A.

Book ID: 127333940
Publisher: American Chemical Society
Year: 1976
Tongue: English
Weight: 934 KB
Volume: 98
Category: Article
ISSN: 0002-7863
DOI: 10.1021/ja00417a005

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

A New Approach to Empirical Intermolecul

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

✍ Antony W. Burgess, Lester L. Shipman and Harold A. Scheraga 📂 Article 📅 1975 🏛 National Academy of Sciences 🌐 English ⚖ 898 KB

A New Approach to Empirical Intermolecul

A New Approach to Empirical Intermolecular and Conformational Potential Energy Functions. I. Description of Model and Derivation of Parameters

✍ Lester L. Shipman, Antony W. Burgess and Harold A. Scheraga 📂 Article 📅 1975 🏛 National Academy of Sciences 🌐 English ⚖ 846 KB

Systematic drug receptor mapping: A new

Systematic drug receptor mapping: A new approach to the analysis of conformational energy calculations of flexible molecules with application to dopaminergic and adrenergic agonists

✍ Lilly Sanathanan; Elizabeth Danaher; Ki-Hwan Kim; Yvonne Martin 📂 Article 📅 1987 🏛 John Wiley and Sons 🌐 English ⚖ 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