• Structure-Based Design of N-Substituted 1-Hydroxy-4-sulfamoyl-2-naphthoates as Selective Inhibitors of the Mcl-1 Oncoprotein

    Published On: April 20th, 2016
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  • CHARMM General Force Field (CGenFF): A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields, Journal of Computational Chemistry

    Published On: September 17th, 2015
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  • Extension of the CHARMM General Force Field to Sulfonyl-Containing Compounds and Its Utility in Biomolecular Simulations, Journal of Computational Chemistry

    Published On: September 17th, 2015
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  • Automation of the CHARMM General Force Field (CGenFF) I: bond perception and atom typing, Journal of Chemical Information and Modeling

    Published On: September 17th, 2015
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  • Automation of the CHARMM General Force Field (CGenFF) II: assignment of bonded parameters and partial atomic charges, Journal of Chemical Information and Modeling

    Published On: September 17th, 2015
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