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Fast approximate methods for calculating nucleic acid base pair interaction energies., , and . Journal of Computational Chemistry, 24 (1): 57-67 (2003)Simulations of the Solution Structure of HIV-1 Protease in the Presence and Absence of Bound Zinc., , , , and . Journal of Computational Chemistry, 15 (1): 61-71 (1994)Electronic structure properties of solvated biomolecules: A quantum approach for macromolecular characterization., , and . Journal of Computational Chemistry, 21 (16): 1562-1571 (2000)CHARMM: The biomolecular simulation program., , , , , , , , , and 25 other author(s). Journal of Computational Chemistry, 30 (10): 1545-1614 (2009)CHARMM force field parameters for simulation of reactive intermediates in native and thio-substituted ribozymes., , , and . Journal of Computational Chemistry, 28 (2): 495-507 (2007)A charge-scaling implementation of the variational electrostatic projection method., and . Journal of Computational Chemistry, 27 (1): 103-115 (2006)The importance of protonation and tautomerization in relative binding affinity prediction: a comparison of AMBER TI and Schrödinger FEP., , , , , and . Journal of Computer-Aided Molecular Design, 30 (7): 533-539 (2016)Comparison of structural, thermodynamic, kinetic and mass transport properties of Mg2+ ion models commonly used in biomolecular simulations., , and . Journal of Computational Chemistry, 36 (13): 970-982 (2015)Extension of adaptive tree code and fast multipole methods to high angular momentum particle charge densities., and . Journal of Computational Chemistry, 29 (12): 1895-1904 (2008)Nucleic acid reactivity: Challenges for next-generation semiempirical quantum models., , and . Journal of Computational Chemistry, 36 (18): 1370-1389 (2015)