Molecular ‘time-machines’ to unravel key biological events for drug design
Molecular dynamics (MD) has become a routine tool in structural biology andstructure-based drug design (SBDD). MD offers extraordinary insights into thestructures and dynamics of biological systems. With the current capabilities ofhigh-performance supercomputers, it is now possible to perform MD simula-tions of systems as large as millions of atoms and for several nanoseconds time-scale. Nevertheless, many complicated molecular mechanisms, including ligandbinding/unbinding and protein folding,...[Show more]
|Collections||ANU Research Publications|
|Source:||Wiley Interdisciplinary Reviews: Computational Molecular Science|
|Access Rights:||Open Access|
|Molecular ‘time‐machines’ to unravel key biological events for drug design.pdf||856.76 kB||Adobe PDF|
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