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A virtual environment for steered molecular dynamics
1999
Future generations computer systems
A molecular dynamics simulation approximates the motion of atoms in a system of molecules over short intervals of simulated time, typically on the order of picoseconds to nanoseconds. Such simulations may run for days or weeks on a computer when used to investigate the dynamic behavior of small proteins in biological systems. By adding additional restraints, a simulation may be "steered" to observe the possibility of particular behaviors or to eliminate others over shorter timescales. We have
doi:10.1016/s0167-739x(99)00005-9
fatcat:qqhpc3tfu5axtgjyqsgrv56l2u