Wepresent algorithms for kinematic manipulation of molecular chains subject to fixed bond lengths and bond angles. They are useful for calculating conformations of a molecule subj...
Experiment design and execution is a central activity in the natural sciences. The SeqERsystem provides a general architecture for the integration of automated planning techniques...
This paper describes a model of three-dimensional cellular automata allowing to simulate different phenomena in the fields of computer graphics or image processing. Our method allo...
The ability to perform long, accurate molecular dynamics (MD) simulations involving proteins and other biological macromolecules could in principle provide answers to some of the ...
David E. Shaw, Martin M. Deneroff, Ron O. Dror, Je...
SuperDuperWalker is a software-based framework for experiments on the evolution of locomotion. It simulates the behavior of evolving agents in a 3D physical simulation environment ...
Lee Spector, Jon Klein, Kyle Harrington, Raymond C...