John Z H Zhang

发表

Development of a New Scoring Function for Virtual Screening: APBScore

Xiao He, Jingxiao Bao, John Z H Zhang, 2020, J. Chem. Inf. Model..

Accurate and Efficient Calculation of Protein-Protein Binding Free Energy-Interaction Entropy with Residue Type-Specific Dielectric Constants.

Xiao Liu, John Z H Zhang, Long Peng, 2018, Journal of chemical information and modeling.

ReacNetGenerator: an automatic reaction network generator for reactive molecular dynamics simulations.

John Z H Zhang, Jinzhe Zeng, Liqun Cao, 2019, Physical chemistry chemical physics : PCCP.

Study of SHMT2 Inhibitors and Their Binding Mechanism by Computational Alanine Scanning

John Z H Zhang, Yifei Qi, Suzhen Dong, 2019, J. Chem. Inf. Model..

Predicting mutation-induced Stark shifts in the active site of a protein with a polarized force field.

Xiao He, John Z H Zhang, J. H. Zhang, 2013, The journal of physical chemistry. A.

Quantifying the stabilizing energy of the intraprotein hydrogen bond due to local mutation.

John Z H Zhang, Chang G Ji, 2011, The journal of physical chemistry. B.

An improved fragment-based quantum mechanical method for calculation of electrostatic solvation energy of proteins.

Xiao He, Ye Mei, John Z H Zhang, 2013, The Journal of chemical physics.

Dynamical stability and assembly cooperativity of β-sheet amyloid oligomers--effect of polarization.

John Z H Zhang, Yang Li, Changge Ji, 2012, The journal of physical chemistry. B.

Quantum dynamics study of H+NH3-->H2+NH2 reaction.

John Z H Zhang, Q. Cui, J. H. Zhang, 2007, The Journal of chemical physics.

An Electrochemical Biosensor with Dual Signal Outputs: Toward Simultaneous Quantification of pH and O2 in the Brain upon Ischemia and in a Tumor during Cancer Starvation Therapy.

John Z H Zhang, Huisheng Peng, Zhihui Dai, 2017, Angewandte Chemie.

Electrostatically embedded generalized molecular fractionation with conjugate caps method for full quantum mechanical calculation of protein energy.

Xiao He, John Z H Zhang, J. H. Zhang, 2013, The journal of physical chemistry. A.

Assessing the performance of MM/PBSA and MM/GBSA methods. 7. Entropy effects on the performance of end-point binding free energy calculation approaches.

Tingjun Hou, Peichen Pan, Huiyong Sun, 2018, Physical chemistry chemical physics : PCCP.

Communications: Electron polarization critically stabilizes the Mg2+ complex in the catalytic core domain of HIV-1 integrase.

Ye Mei, John Z H Zhang, Yunpeng Lu, 2010, The Journal of chemical physics.

Folding of a helix is critically stabilized by polarization of backbone hydrogen bonds: study in explicit water.

Ye Mei, John Z H Zhang, Ya Gao, 2012, The journal of physical chemistry. B.

Structure and dynamics of a dizinc metalloprotein: effect of charge transfer and polarization.

Ye Mei, John Z H Zhang, J. H. Zhang, 2011, The journal of physical chemistry. B.

A new quantum method for electrostatic solvation energy of protein.

Ye Mei, John Z H Zhang, Changge Ji, 2006, The Journal of chemical physics.

An efficient approach for ab initio energy calculation of biopolymers.

John Z H Zhang, Yingkai Zhang, J. H. Zhang, 2005, The Journal of chemical physics.

Fragment quantum chemical approach to geometry optimization and vibrational spectrum calculation of proteins.

Xiao He, John Z H Zhang, J. H. Zhang, 2016, Physical chemistry chemical physics : PCCP.

Selective binding of antiinfluenza drugs and their analogues to 'open' and 'closed' conformations of H5N1 neuraminidase.

John Z H Zhang, J. H. Zhang, Pei Wang, 2010, The journal of physical chemistry. B.

Electrostatic polarization makes a substantial contribution to the free energy of avidin-biotin binding.

Ye Mei, John Z H Zhang, J. H. Zhang, 2010, Journal of the American Chemical Society.

Selectivity of neutral/weakly basic P1 group inhibitors of thrombin and trypsin by a molecular dynamics study.

John Z H Zhang, J. H. Zhang, Keli Han, 2008, Chemistry.

A new method for direct calculation of total energy of protein.

Xiao He, John Z H Zhang, J. H. Zhang, 2005, The Journal of chemical physics.

A New Quantum Calibrated Force Field for Zinc-Protein Complex.

John Z H Zhang, Xudong Xiao, Changge Ji, 2013, Journal of chemical theory and computation.

Quantum Fragment Based ab Initio Molecular Dynamics for Proteins.

Xiao He, John Z H Zhang, Tong Zhu, 2015, Journal of chemical theory and computation.

Molecular dynamics simulation study on the molecular structures of the amylin fibril models.

John Z H Zhang, Yuguang Mu, H. Su, 2012, The journal of physical chemistry. B.

Ab initio QM/MM free energy simulations of peptide bond formation in the ribosome support an eight-membered ring reaction mechanism.

John Z H Zhang, Yun Xiang, Jun Xu, 2012, Journal of the American Chemical Society.

Quantum mechanical studies of residue-specific hydrophobic interactions in p53-MDM2 binding.

Ye Mei, John Z H Zhang, J. H. Zhang, 2008, The journal of physical chemistry. B.

The generalized molecular fractionation with conjugate caps/molecular mechanics method for direct calculation of protein energy.

Xiao He, John Z H Zhang, J. H. Zhang, 2006, The Journal of chemical physics.

Quantum and molecular dynamics study for binding of macrocyclic inhibitors to human alpha-thrombin.

Ye Mei, John Z H Zhang, Emilia L Wu, 2007, Biophysical journal.

New Advance in Computational Chemistry: Full Quantum Mechanical ab Initio Computation of Streptavidin-Biotin Interaction Energy.

John Z H Zhang, J. H. Zhang, Yun Xiang, 2003, The journal of physical chemistry. B.

Full QM Calculation of RNA Energy Using Electrostatically Embedded Generalized Molecular Fractionation with Conjugate Caps Method.

Xiao He, John Z H Zhang, Xinsheng Jin, 2017, The journal of physical chemistry. A.

Discovery and Characterization of Novel, Potent, and Selective Cytochrome P450 2J2 Inhibitors

Ye Mei, John Z H Zhang, Jian Fei, 2013, Drug Metabolism and Disposition.

Quantum mechanical calculation of electric fields and vibrational Stark shifts at active site of human aldose reductase.

Xiao He, John Z H Zhang, J. H. Zhang, 2015, The Journal of chemical physics.

Automated Fragmentation QM/MM Calculation of Amide Proton Chemical Shifts in Proteins with Explicit Solvent Model.

Xiao He, John Z H Zhang, Tong Zhu, 2013, Journal of chemical theory and computation.

Combined effect of confinement and affinity of crowded environment on conformation switching of adenylate kinase

John Z H Zhang, J. H. Zhang, Fei Xia, 2014, Journal of Molecular Modeling.

Polarization of intraprotein hydrogen bond is critical to thermal stability of short helix.

Ye Mei, John Z H Zhang, Ya Gao, 2012, The journal of physical chemistry. B.

Fragment quantum mechanical calculation of proteins and its applications.

Xiao He, Tong Zhu, John Z H Zhang, 2014, Accounts of chemical research.

Quantum mechanical map for protein-ligand binding with application to beta-trypsin/benzamidine complex.

John Z H Zhang, J. H. Zhang, Yun Xiang, 2004, The Journal of chemical physics.

Fragment density functional theory calculation of NMR chemical shifts for proteins with implicit solvation.

Xiao He, John Z H Zhang, Tong Zhu, 2012, Physical chemistry chemical physics : PCCP.

Calculations of Solvation Free Energy through Energy Reweighting from Molecular Mechanics to Quantum Mechanics.

Bernard R Brooks, Ye Mei, John Z H Zhang, 2016, Journal of chemical theory and computation.

Understanding the molecular mechanism of enzyme dynamics of ribonuclease A through protonation/deprotonation of HIS48.

John Z H Zhang, J. H. Zhang, C. Ji, 2011, Journal of the American Chemical Society.

Electronic polarization is important in stabilizing the native structures of proteins.

John Z H Zhang, J. H. Zhang, C. Ji, 2009, The journal of physical chemistry. B.

Folding of a helix at room temperature is critically aided by electrostatic polarization of intraprotein hydrogen bonds.

Ye Mei, John Z H Zhang, J. H. Zhang, 2010, Journal of the American Chemical Society.

NMR scalar coupling constant reveals that intraprotein hydrogen bonds are dynamically stabilized by electronic polarization.

John Z H Zhang, J. H. Zhang, C. Ji, 2009, The journal of physical chemistry. B.

Theoretical method for full ab initio calculation of DNA/RNA-ligand interaction energy.

John Z H Zhang, J. H. Zhang, X. H. Chen, 2004, The Journal of chemical physics.

Nonadiabatic effects in the H+D2 reaction.

John Z H Zhang, Yan Zhang, J. H. Zhang, 2006, The Journal of chemical physics.