Molecular Model

Authors

  • Rashmi Malhotra Department of Computational Biology, Sharda University, Uttar Pradesh, India

DOI:

https://doi.org/10.37628/ijcbb.v2i1.339

Abstract

Molecular modeling is an accumulation of (PC based) methods for inferring, representing and controlling the structures and responses of particles, and those properties that are subject to these three dimensional structures. This is a standard tool used for searching for, rationalizing and predicting structure and reactivity of organic, bio-organic and organometallic molecules. Keywords: molecular graphics, molecular modeling

References

Barlow, W. (1883). "Probable Nature of the Internal Symmetry of Crystals". Nature 29 (738): 186–8.

Barlow, W.; Pope, W.J. (1906). "A development of the atomic theory which correlates chemical and crystalline structure and leads to a demonstration of the nature of valency". J. Chem. Soc. 89: 1675–1744

Wooster, W.A.; et al. (1945). "A Spherical Template for Drilling Balls for Crystal Structure Models". J. Sci. Instrum. 22 (7): 130.

M. P. Allen, D. J. Tildesley, Computer simulation of liquids, 1989, Oxford University Press, ISBN 0-19-855645-4.

D. Frenkel, B. Smit, Understanding Molecular Simulation: From Algorithms to Applications, 1996, ISBN 0-12-267370-0

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Published

2018-08-06

Issue

Vol. 2 No. 1 (2016)

Section

Articles