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Physical Chemistry Chemical Physics : PCCP|July 17, 2026
Computational rescue of antibody binding to monkeypox virus E8L: from electrostatic repulsion to salt bridge-enhanced affinityZhendong Li, Wenbin Qiu, Yanbiao Wang, et al.Chembiochem : a European Journal of Chemical Biology|January 2, 2023
Rational Design of a Highly Specific Prolyl Endopeptidase To Activate the Antihypertensive Effect of PeptidesMingzhe Ma, Yalong Cong, John Z H Zhang, et al.Scientific Reports|November 28, 2015
Hybrid QM/MM study of FMO complex with polarized protein-specific chargeXiangyu Jia, Ye Mei, John Z H Zhang, et al.The Journal of Physical Chemistry. A|March 5, 2013
Electrostatically embedded generalized molecular fractionation with conjugate caps method for full quantum mechanical calculation of protein energyXianwei Wang, Jinfeng Liu, John Z H Zhang, et al.Nanotechnology|December 29, 2018
Spin-dependent carrier mobility and its gate-voltage modifying effects for functionalized single walled black phosphorus tubesW Kuang, R Hu, Z Q Fan, et al.Journal of Physics. Condensed Matter : an Institute of Physics Journal|January 16, 2019
Strain-induced rich magnetic phase transitions and enhancement of magnetic stability for O-terminated h-BN nanoribbonsW Kuang, R Hu, Z Q Fan, et al.Journal of Computational Chemistry|February 7, 2014
Accessing the applicability of polarized protein-specific charge in linear interaction energy analysisXiangyu Jia, Juan Zeng, John Z H Zhang, et al.The Journal of Chemical Physics|July 23, 2004
Fractionation of peptide with disulfide bond for quantum mechanical calculation of interaction energy with moleculesX H Chen, D W Zhang, J Z H ZhangJournal of Computational Chemistry|September 30, 2003
Molecular caps for full quantum mechanical computation of peptide-water interaction energyD W Zhang, X H Chen, J Z H ZhangPhysical Chemistry Chemical Physics : PCCP|May 31, 2017
BAR-based optimum adaptive sampling regime for variance minimization in alchemical transformationZhao X Sun, Xiao H Wang, John Z H ZhangPageof 82