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The Journal of Physical Chemistry. B|April 30, 2010
Coarse-grained potential models for phenyl-based molecules: I. Parametrization using experimental dataRussell DeVane, Michael L Klein, Chi-cheng Chiu, et al.
Accounts of Chemical Research|January 16, 2015
Catalytic metal ions and enzymatic processing of DNA and RNAGiulia Palermo, Andrea Cavalli, Michael L Klein, et al.
The Journal of Biological Chemistry|May 4, 2018
Structural characterization of the P1+ intermediate state of the P-cluster of nitrogenaseStephen M Keable, Oleg A Zadvornyy, Lewis E Johnson, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|January 21, 2014
Enzyme design from the bottom up: an active nickel electrocatalyst with a structured peptide outer coordination sphereMatthew L Reback, Garry W Buchko, Brandon L Kier, et al.
Science Advances|May 27, 2026
Understanding the density maximum of water with machine-learned potentialsYizhi Song, Renxi Liu, Chunyi Zhang, et al.
Journal of Colloid and Interface Science|August 14, 2022
Superhydrophilicity of α-alumina surfaces results from tight binding of interfacial waters to specific aluminolsRuiyu Wang, Yunqian Zou, Richard C Remsing, et al.
Journal of Computational Chemistry|August 21, 2007
Parameterization of azole-bridged dinuclear platinum anticancer drugs via a QM/MM force matching procedureKatrin Spiegel, Alessandra Magistrato, Patrick Maurer, et al.
Journal of the American Chemical Society|February 9, 2006
Characterization of nonbiological antimicrobial polymers in aqueous solution and at water-lipid interfaces from all-atom molecular dynamicsIvaylo Ivanov, Satyavani Vemparala, Vojislava Pophristic, et al.
Journal of the American Chemical Society|April 19, 2023
Molecular Engineering of pH-Responsive Anchoring Systems onto Poly(ethylene glycol) CoronaShaohua Zhang, Abhinav Srivastava, Wei Li, et al.
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