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Gao, JialiStructure and dynamics of organic molecules and biomolecules in solution; hybrid quantum mechanics + molecular mechanics methods.
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Merz, Jr., Kenneth M.Theoretical studies of biomolecules. The Merz group is a member of the AMBER development team.
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Sherrill, C. Davidhttp://vergil.chemistry.gatech.edu/ Ab initio and density functional quantum chemistry.
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