Paper Citing NAMD - Abstract
Weronski, Pawel; Jiang, Yi; Rasmussen, Steew
Application of molecular dynamics computer simulations in the design of a minimal self-replicating molecular machine
COMPLEXITY, 13:10-17, MAR-APR 2008
It is commonly agreed that a chemical assembly of molecules can be considered alive if it can ingest resources and convert them into building blocks; has the ability to grow and self-reproduce; and can evolve. In the design proposed by Rasmussen and Chen (Science 2004, 303, 963) the assembly or protocell could be as simple as a small micellar surfactant aggregate acting as a container, anchoring an informational molecule to its exterior and incorporating a metabolism within the oily interior We present several examples of modeling such a system with molecular dynamics computer simulations. (C) 2008 Wiley Periodicals, Inc.
