22 citations · 82 across the 10 of their papers we have counts for
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physics.chem-ph2020
Polarizable Multipolar Molecular Dynamics Using Distributed Point Charges
Mike Devereux, Marco Pezzella, Shampa Raghunathan +1
Distributed point charge models (DCM) and their minimal variants (MDCM) have been integrated with tools widely used for condensed-phase simulations, including a virial-based barost…
physics.chem-ph2020
Water Dynamics Around Proteins: T- and R-States of Hemoglobin and Melittin
Marco Pezzella, Krystel El Hage, Michiel J. M. Niesen +4
The water dynamics, as characterized by the local hydrophobicity (LH), is investigated for tetrameric hemoglobin and dimeric melittin. For the T0 to R0 transition in Hb it is found…