Molecular dynamics simulation of dehydration in cellulose/water crystals-Reference-Cited by-同舟云学术

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Molecular dynamics simulation of dehydration in cellulose/water crystals

Published:2015-07-31 Issue:5 Volume:22 Page:2899-2910
ISSN:0969-0239
Container-title:Cellulose
language:en
Short-container-title:Cellulose

Author:

Miyamoto Hitomi,Yamane Chihiro,Ueda Kazuyoshi

Funder

Grant-in-Aid from Research Fellowships of the Japan Society for the Promotion of Science for Young Scientists

Publisher

Springer Science and Business Media LLC

Subject

Polymers and Plastics

Link

http://link.springer.com/content/pdf/10.1007/s10570-015-0716-x.pdf

Reference47 articles.

1. Allen MP, Tildesley DJ (1987) Computer simulations of liquids. Oxford Science, Oxford

2. Berendsen HJC, Grigera JR, Straatsma TPJ (1987) The missing term in effective pair potentialst. Phys Chem 91:6269–6271

3. Brooks BR, Bruccoleri RE, Olafson BD, Swaminathan S, Karplus M (1983) CHARMM: a program for macromolecular energy, minimization, and dynamics calculations. J Comput Chem 4:187–217

4. Brooks BR, Brooks CL III, MacKerell AD Jr, Nilsson L, Petrella RJ, Roux B, Won Y, Archontis G, Bartels C, Boresch S, Caflisch A, Caves L, Cui Q, Dinner AR, Feig M, Fischer S, Gao J, Hodoscek M, Im W, Kuczera K, Lazaridis T, Ma J, Ovchinnikov V, Paci E, Pastor RW, Post CB, Pu JZ, Schaefer M, Tidor B, Venable RM, Woodcock HL, Wu X, Yang W, York DM, Karplus M (2009) CHARMM: the biomolecular simulation program. J Comput Chem 30:1545–1614

5. Darden T, York D, Pedersen L (1993) Particle mesh Ewald: an N·log(N) method for Ewald sums in large systems. J Chem Phys 98(12):10089–10092

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