Computer simulation of liquids
Computer simulation of liquids
Molecular dynamics on a distributed-memory multiprocessor
Journal of Computational Chemistry
Journal of Computational Chemistry
Computer graphics (2nd ed.): C version
Computer graphics (2nd ed.): C version
Parallel programming with MPI
Genetic Algorithms in Search, Optimization and Machine Learning
Genetic Algorithms in Search, Optimization and Machine Learning
Numerical Optimization of Computer Models
Numerical Optimization of Computer Models
The MOSIX Distributed Operating System: Load Balancing for UNIX
The MOSIX Distributed Operating System: Load Balancing for UNIX
Stalk: An Interactive System for Virtual Molecular Docking
IEEE Computational Science & Engineering
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Recent technologies, molecular dynamics, genetic algorithms, parallel and distributed computing, virtual reality, and high-speed networking, underlie a new approach to the computational study of how macromolecules interact or dock together. With the MIDAS program, a user in a virtual reality environment can interact with a genetic algorithm running on a parallel computer to help in the search for likely geometric configurations. The final configuration is obtained with the help of the molecular dynamics, which allow the system to relax to its correct position. In conclusion, biologist people are able to utilize the power of parallel computers to simulate Molecular Docking on flexible biological system in greater detail than ever before.