𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Computer simulated modeling of biomolecular systems

✍ Scribed by K Sundaram; Subhashini Srinivasan

Publisher
Elsevier Science
Year
1979
Weight
306 KB
Volume
10
Category
Article
ISSN
0010-468X

No coin nor oath required. For personal study only.

✦ Synopsis

This paper describes the algorithm of a program used to simulate three dimensional models of molecules. In addition to open ended molecules the program also enables simulation of structures with constraints in the form of cyclic regions or fixed location of particular atoms. Several molecules can be handled in a single run and each molecule can have any number of contraints. Further, any number of conformations can be obtained for each constrained region. The program can be used for research in several areas of molecular biology, e.g., structure determination, conformational analysis and topographic comparisons.

πŸ“œ SIMILAR VOLUMES

A mathematical model/computer simulation
A mathematical model/computer simulation of adaptive system interaction
✍ Donal E. Muir πŸ“‚ Article πŸ“… 1986 πŸ› John Wiley and Sons 🌐 English βš– 972 KB

An idealized mathematical model of adaptive-system behavior, using conventional economic decision-theory assumptions, is stated. The data-processing capacity of this model is analyzed, revealing that it would be rapidly overwhelmed by even moderate complexity. To circumvent this difficulty, a practi

Computer simulation of ferrokinetic mode
Computer simulation of ferrokinetic models
✍ Torgny Groth; Werner Schneider; Erik Sandewall; Jean-Claude Vuille πŸ“‚ Article πŸ“… 1970 πŸ› Elsevier Science βš– 698 KB

Camputer methods for analysis of iron kinetics on the basis of specified models are presented. One method is basec on direct simulation of the processes in the model, whereas the other method uses a standard fourth-order Runge -Kutta integration of the system of differential equations describing the

Molecular modeling of organic and biomol
Molecular modeling of organic and biomolecular systems using BOSS and MCPRO
✍ William L. Jorgensen; Julian Tirado–Rives πŸ“‚ Article πŸ“… 2005 πŸ› John Wiley and Sons 🌐 English βš– 289 KB

## Abstract An overview is provided of the capabilities for the current versions of the __BOSS__ and __MCPRO__ programs for molecular modeling of organic and biomolecular systems. Recent applications are noted, particularly for QM/MM studies of organic and enzymatic reactions and for protein‐ligand