Optimal Point Charge Approximation: from 3-Atom Water Molecule to Million-Atom Chromatin Fiber
Atomistic modeling and simulation methods enable a modern molecular approach to bio-medical research. Issues addressed range from structure-function relationships to structure-based drug design. The ability of these methods to address biologically relevant problems is largely determined by their acc...
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Virginia Tech
2018
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| Online Access: | http://hdl.handle.net/10919/81539 |