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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

September 17, 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

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Automation of the CHARMM General Force Field (CGenFF) I: bond perception and atom typing, Journal of Chemical Information and Modeling

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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

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Balancing Target Flexibility and Target Denaturation in Computational Fragment-Based Inhibitor Discovery, Journal of Computational Chemistry

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Inclusion of Multiple Fragment Types in the Site Identification by Ligand Competitive Saturation (SILCS) Approach, Journal of Chemical Information and Modeling

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Site-Specific Fragment Identification Guided by Single-Step Free Energy Perturbation Calculations, Journal of Chemical Theory and Computation

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