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Monte Carlo simulation of several biologically relevant molecules and zwitterions in water

✍ Scribed by Michael Y. Patuwo; Ryan P.A. Bettens

Book ID
113555377
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
366 KB
Volume
524
Category
Article
ISSN
0009-2614

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πŸ“œ SIMILAR VOLUMES

Monte carlo simulation of water solvent
Monte carlo simulation of water solvent with biomolecules. Glycine and the corresponding zwitterion
✍ Silvano Romano; Enrico Clementi πŸ“‚ Article πŸ“… 1978 πŸ› John Wiley and Sons 🌐 English βš– 513 KB

## Abstract Monte Carlo calculations for clusters consisting of 200 water molecules surrounding glycine in the neutral and zwitterionic forms were carried out at 300 K; all the relevant interaction potentials have been obtained by means of quantum–mechanical calculations. Water–water and amino acid

Monte Carlo simulation of water solvent
Monte Carlo simulation of water solvent with biomolecules: Serine and the corresponding zwitterion
✍ Silvano Romano; Enrico Clementi πŸ“‚ Article πŸ“… 1980 πŸ› John Wiley and Sons 🌐 English βš– 809 KB

## Abstract Monte Carlo simulation results are reported for clusters consisting of 250 water molecules surrounding serine, both in the neutral form and in two zwitterionic conformers (in order to gain some insight into conformational effects). Calculations were carried out at 300 K and using two‐bo