Paper Citing NAMD - Abstract
Micluta, Marius A.; Petrescu, Andrei-Jose
PARALLEL COMPUTING IN MOLECULAR SIMULATION AND PROTEIN MODELING
Romanian Journal of Biochemistry, 46:129-148, JUL-DEC 2009
Major computational challenges have historically prevented molecular dynamics simulations of biomolecular systems from reaching the timescales on which biologically interesting events, such as conformational dynamics associated to protein function, are experimentally observed Recent advances in the development of hardware, software, and algorithms for parallel computing have greatly contributed in diminishing this gap This review Outlines the theoretical backgrounds of the parallel computing methods used in molecular simulation and protein modeling and summarizes the state-of-the art in available tools and techniques
