𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Molecular dynamics of biological macromolecules: A brief history and perspective

✍ Scribed by Martin Karplus

Publisher
Wiley (John Wiley & Sons)
Year
2003
Tongue
English
Weight
91 KB
Volume
68
Category
Article
ISSN
0006-3525

No coin nor oath required. For personal study only.

✦ Synopsis

Abstract

A description of the origin of my interest in and the development of molecular dynamics simulations of biomolecules is presented with a historical overview, including the role of my interactions with Shneior Lifson and his group in Israel. Some early applications of the methodology by members of my group are summarized, followed by a description of examples of recent applications and some discussion of possible future directions. Β© 2003 Wiley Periodicals, Inc. Biopolymers: 350–358, 2003

πŸ“œ SIMILAR VOLUMES

A vibrational molecular force field of m
A vibrational molecular force field of model compounds with biological interest. I. Harmonic dynamics of crystalline urea at 123 K
✍ Philippe Derreumaux; GΓ©rard Vergoten; Philippe Lagant πŸ“‚ Article πŸ“… 1990 πŸ› John Wiley and Sons 🌐 English βš– 736 KB

## Abstract Normal coordinate calculations have been performed for urea and deuterated urea in the crystalline state. We have used the modified Urey–Bradley–Shimanouchi intramolecular potential energy function and a rather sophisticated intermolecular energy function to reproduce I.R. and Raman fre