Journal of Undergraduate Research
Keywords
molecular dynamics, fluctuating-charge force field, CHARMM
College
Life Sciences
Department
Physiology and Developmental Biology
Abstract
Molecular Dynamics (hereafter abbreviated MD) is a method of simulating on a computer the behavior of molecules. For over twenty years, it had been a valuable tool that has allowed chemists and physicists to observe chemical interactions that would are difficult or impossible to measure with standard laboratory equipment. The rapid growth of computing power has made feasible simulations of larger and larger systems, so that now biologists can use MD to study the complex chemistry of living organisms.
Recommended Citation
Harward, Soren and Busath, David
(2013)
"Developing a New Fluctuating-Charge Force Field for CHARMM,"
Journal of Undergraduate Research: Vol. 2013:
Iss.
1, Article 1410.
Available at:
https://scholarsarchive.byu.edu/jur/vol2013/iss1/1410