Developing and validating Fuzzy-Border continuum solvation model with POlarizable Simulations Second order Interaction Model (POSSIM) force field for proteins
"The accurate, fast and low cost computational tools are indispensable for studying the structure and dynamics of biological macromolecules in aqueous solution. The goal of this thesis is development and validation of continuum Fuzzy-Border (FB) solvation model to work with the Polarizable Simu...
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Digital WPI
2015
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| Online Access: | https://digitalcommons.wpi.edu/etd-dissertations/393 https://digitalcommons.wpi.edu/cgi/viewcontent.cgi?article=1392&context=etd-dissertations |