Molecular-dynamics simulations of biological macromolecules

Post, C. B.; Dadarlat, V. M.

doi:10.1107/97809553602060000706

International
Tables for
Crystallography
Volume F
Crystallography of biological macromolecules
Edited by M. G. Rossmann and E. Arnold

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International Tables for Crystallography (2006). Vol. F. ch. 20.2, pp. 489-495 | 1 | 2 |
https://doi.org/10.1107/97809553602060000706

Chapter 20.2. Molecular-dynamics simulations of biological macromolecules

C. B. Post^a ^* and V. M. Dadarlat^a

^aDepartment of Medicinal Chemistry and Molecular Pharmacology, Purdue University, West Lafayette, Indiana 47907-1333, USA
Correspondence e-mail: cbp@cc.purdue.edu

Footnotes

¹ The periodic boundary conditions method allows for the simulation of the atoms in a central unit cell in the field of image unit cells generated by symmetry operations.

International Tables for Crystallography (2006). Vol. F. ch. 20.2, pp. 489-495
https://doi.org/10.1107/97809553602060000706