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Recent advances in molecular dynamics simulation towards the realistic representation of biomolecules in solution

✍ Scribed by Thomas E. Cheatham III.; Bernard R. Brooks


Book ID
105887110
Publisher
Springer
Year
1998
Tongue
English
Weight
205 KB
Volume
99
Category
Article
ISSN
1432-2234

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Molecular dynamics simulation of the ene
✍ Werner Ebeling; Alexander A. Valueva; Victor J. Podlipchuk πŸ“‚ Article πŸ“… 1997 πŸ› Elsevier Science 🌐 English βš– 458 KB

A solution is modelled as a classical 2D molecular system consisting of two types of molecules having different interaction parameters. The interaction is modelled by Lennard -Jones -type potentials. Molecular Dynamics simulations of solutions of soft molecules imbedded into a bath of rather hard so