A Brownian dynamics simulation program for the computation of transport properties of charged polarizable macromolecules is presented. The program contains routines for simulating polymer dynamics in a gel network as well as in a quiescent fluid or in a shear field. An electric field can also be inc
โฆ LIBER โฆ
Presto(protein engineering simulator): A vectorized molecular mechanics program for biopolymers
โ Scribed by Kenji Morikami; Takahisa Nakai; Akinori Kidera; Minoru Saito; Haruki Nakamura
- Publisher
- Elsevier Science
- Year
- 1992
- Tongue
- English
- Weight
- 612 KB
- Volume
- 16
- Category
- Article
- ISSN
- 0097-8485
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2003
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## Abstract Molecular mechanics models have been applied extensively to study the dynamics of proteins and nucleic acids. Here we report the development of a thirdโgeneration pointโcharge allโatom force field for proteins. Following the earlier approach of Cornell et al., the charge set was obtaine