PlayMolecule ProteinPrepare: A Web Application for Protein Preparation for Molecular Dynamics Simulations.
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DOI: 10.1021/acs.jcim.7b00190
Abstract: Protein preparation is a critical step in molecular simulations that consists of refining a Protein Data Bank (PDB) structure by assigning titration states and optimizing the hydrogen-bonding network. In this application note, we describe ProteinPrepare,… read more here.
Keywords: protein; proteinprepare web; web application; protein preparation ... See more keywords