𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Data base for force fields and for molecular unit definitions

✍ Scribed by DeLos F. DeTar

Publisher
Elsevier Science
Year
1977
Tongue
English
Weight
451 KB
Volume
1
Category
Article
ISSN
0097-8485

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πŸ“œ SIMILAR VOLUMES

MATCH: An atom-typing toolset for molecu
MATCH: An atom-typing toolset for molecular mechanics force fields
✍ Joseph D. Yesselman; Daniel J. Price; Jennifer L. Knight; Charles L. Brooks III πŸ“‚ Article πŸ“… 2011 πŸ› John Wiley and Sons 🌐 English βš– 857 KB

## Abstract We introduce a toolset of program libraries collectively titled multipurpose atom‐typer for CHARMM (MATCH) for the automated assignment of atom types and force field parameters for molecular mechanics simulation of organic molecules. The toolset includes utilities for the conversion of

An appraisal of molecular force fields f
An appraisal of molecular force fields for the representation of polypeptides
✍ David Hall; Nicola Pavitt πŸ“‚ Article πŸ“… 1984 πŸ› John Wiley and Sons 🌐 English βš– 797 KB

A number of force fields of the molecular mechanics type have been tested for their ability to represent as an energy minimum, the observed crystal structure for three cyclic hexapeptides, cyclo-(-Ala-Ala-Gly-Gly-Ala-Gly-), cyclo-(-Ala-Ala-Gly-Ala-Gly-Gly-), and cyclo-(-D-Ala-D-Ala-Gly-Gly-Gly-Gly-)