Mobley Lab at UC Irvine

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icon location University of California, Irvine icon location Binding free energies, molecular interactions, solvation thermodynamics, and statistical mechanics of biomolecules

Results 13 repositories owned by Mobley Lab at UC Irvine

chemper

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Repository for Chemical Perception Sampling Tools

verified publisher icon MobleyLab

SeparatedTopologies

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Exploratory work on free energy calculations with GROMACS using "separated topologies" approach (Rocklin et al., 2013).

verified publisher icon MobleyLab

HiMap

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High Information Mapper (HiMap), successor of the Lead Optimization Mapper (LOMAP)

verified publisher icon MobleyLab