Dawei Zhang

发表

Computational study of bindings of HL9, a nonapeptide fragment of human lysozyme, to HIV-1 fusion protein gp41.

Y. D. Hartono, Angelina Noviani Lee, S. Lee-Huang, 2011, Bioorganic & medicinal chemistry letters.

Molecular dynamics studies of human receptor molecule in hemagglutinin of 1918 and 2009 H1N1 influenza viruses

Yossa Dwi Hartono, Xuri Huang, Y. D. Hartono, 2011, Journal of molecular modeling.

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 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.

Insights from investigating the interaction of oseltamivir (Tamiflu) with neuraminidase of the 2009 H1N1 swine flu virus.

K. Chou, Dawei Zhang, Q. Du, 2009, Biochemical and biophysical research communications.

Folding and thermodynamic studies of Trp-cage based on polarized force field

Ye Mei, John Z. H. Zhang, J. H. Zhang, 2012, Theoretical Chemistry Accounts.

Quantum mechanical calculation of nanomaterial-ligand interaction energies by molecular fractionation with conjugated caps method

Dawei Zhang, 2017, Scientific Reports.

Folding of EK peptide and its dependence on salt concentration and pH: A computational study

J. H. Zhang, Dawei Zhang, Lili Duan, 2011 .

Docking accuracy enhanced by QM-derived protein charges

Liben Li, Dawei Zhang, Haisheng Li, 2016 .

Misfolding of a polyalanine variant due to lack of electrostatic polarization effects

Dawei Zhang, Tiedong Sun, Caiyi Wei, 2013, Theoretical Chemistry Accounts.

Ab initio folding of extended α‐helix: A theoretical study about the role of electrostatic polarization in the folding of helical structures

Dawei Zhang, Tiedong Sun, Caiyi Wei, 2013, Proteins.

Electronic structures of low-lying Bu excited states in trans-oligoenes: Pariser-Parr-Pople and ab initio calculations.

Dawei Zhang, Chungen Liu, 2011, The Journal of chemical physics.

Incorporating Polarizability of Backbone Hydrogen Bonds Improved Folding of Short α-Helical Peptides.

Dawei Zhang, Y. M. Yip, Raudah Lazim, 2019, Biophysical journal.

Binding of anti-apoptotic Bcl-2 with different BH3 peptides: A molecular dynamics study

Dawei Zhang, Huihui Liu, J. Cui, 2018 .

Cinnamoyl Sucrose Esters as Alpha Glucosidase Inhibitors for the Treatment of Diabetes

Dawei Zhang, Z. Judeh, Y. M. Yip, 2021, Molecules.

Synthesis of highly luminescent and photostable ZnS:Ag nanocrystals under microwave irradiation

Dawei Zhang, Wensheng Yang, J. Zhuang, 2006 .

Counter anion in Li+‐encapsulated C60 can further enhance the rate of Diels–Alder reaction: A DFT study

Liben Li, Dawei Zhang, Haisheng Li, 2016 .

5-Hydroxymethylcytosine and 5-formylcytosine containing deoxyoligonucleotides: facile syntheses and melting temperature studies.

Dawei Zhang, L. Cui, Fangwei Shao, 2015, Bioorganic & medicinal chemistry letters.

Theoretical insight for the metal insertion pathway of endohedral alkali metal fullerenes.

Dawei Zhang, H. Malani, 2013, The journal of physical chemistry. A.

Electronic Structures of Anti-Ferromagnetic Tetraradicals: Ab Initio and Semi-Empirical Studies.

Dawei Zhang, Chungen Liu, 2016, Journal of chemical theory and computation.

Open-shell ground state of polyacenes: a valence bond study.

Dawei Zhang, Yuansheng Jiang, Chungen Liu, 2009, The journal of physical chemistry. A.

Well-aligned arrays of CuO nanoplatelets.

Dawei Zhang, Y. Qian, Guifu Zou, 2006, The journal of physical chemistry. B.

Computational study of bindings of HK20 Fab and D5 Fab to HIV-1 gp41.

Y. D. Hartono, Dawei Zhang, Y. M. Yip, 2012, Bioorganic & medicinal chemistry letters.

Benzofuran-based estrogen receptor α modulators as anti-cancer therapeutics: in silico and experimental studies.

Dawei Zhang, H. Yoon, Xue‐Wei Liu, 2013, Current medicinal chemistry.

Inhibiting enzymatic starch digestion by the phenolic compound diboside A: A mechanistic and in silico study

Dawei Zhang, Dejian Huang, Tin-yin Liu, 2013 .

Solvent effect on the folding dynamics and structure of E6-associated protein characterized from ab initio protein folding simulations.

Ye Mei, Zhijun Xu, Raudah Lazim, 2012, The Journal of chemical physics.

A Pt(II)-Dip complex stabilizes parallel c-myc G-quadruplex.

Dawei Zhang, Fangwei Shao, Kaihui Lu, 2013, Chemical communications.

Methylation on CpG repeats modulates hydroxymethylcytosine induced duplex destabilization

Dawei Zhang, Fangwei Shao, Penny Liu Qing Yeo, 2016 .

Exploring indole channeling in tryptophan synthase using steered molecular dynamics simulation

Dawei Zhang, Raudah Lazim, 2019, Chemical Physics Letters.

Excitation energy calculation of conjugated hydrocarbons: a new Pariser-Parr-Pople model parameterization approaching CASPT2 accuracy.

Dawei Zhang, Yuansheng Jiang, Chungen Liu, 2011, The Journal of chemical physics.

Application of conventional molecular dynamics simulation in evaluating the stability of apomyoglobin in urea solution

Raudah Lazim, Dawei Zhang, Dawei Zhang, 2017, Scientific Reports.

Thermal Stability of Ag13- Clusters Studied by Ab Initio Molecular Dynamics Simulations.

Dawei Zhang, D. Wei, Haisheng Li, 2020, The journal of physical chemistry. A.

Band gap and activation energy in amorphous silicon doping-modulated superlattices

Dawei Zhang, D. Haneman, 1988 .

Molecular interactions between glycopeptide vancomycin and bacterial cell wall peptide analogues.

Dawei Zhang, Jie Zhou, B. Xing, 2011, Chemistry.

Interplay of hole transfer and host-guest interaction in a molecular dyad and triad: ensemble and single-molecule spectroscopy and sensing applications.

R. Webster, Dawei Zhang, K. L. Wells, 2015, Chemistry.

Adsorption and folding dynamics of MPER of HIV‐1 gp41 in the presence of dpc micelle

Dawei Zhang, Y. Hartono, Yi Mun, 2013, Proteins.

Application of the Polarized Structure-Specific Backbone Charge Scheme on the Folding of Beta3s

Dawei Zhang, Y. M. Yip, 2021 .

Understanding the basis of G140S-Q148H double mutation induced drug resistance in HIV-1 integrase using molecular dynamics simulation

Dawei Zhang, Rui Duan, 2021 .

Ab initio folding of mixed-fold FSD-EY protein using formula-based polarizable hydrogen bond (PHB) charge model

Dawei Zhang, Y. M. Yip, Raudah Lazim, 2017 .

Understanding the basis of I50V‐induced affinity decrease in HIV‐1 protease via molecular dynamics simulations using polarized force field

Rui Duan, Dawei Zhang, Raudah Lazim, 2015, J. Comput. Chem..

DOCKING OF RALTEGRAVIR TO HIV-1 INTEGRASE STRUCTURE ENSEMBLE

Dawei Zhang, Y. Mei, Zeyu Liu, 2010 .

In silico construction of HK2-VDAC1 complex and investigating the HK2 binding-induced molecular gating mechanism of VDAC1.

Liben Li, Dawei Zhang, Y. M. Yip, 2016, Mitochondrion.

Stability of the β-structure in prion protein: A molecular dynamics study based on polarized force field

Dawei Zhang, Zhijun Xu, Y. Mei, 2012 .

The intrinsic helical propensities of the helical fragments in prion protein under neutral and low pH conditions: a replica exchange molecular dynamics study

J. H. Zhang, Dawei Zhang, Juan Zeng, 2013, Journal of Molecular Modeling.

Self-assembly of DNA duplex in graphene bilayer

Dawei Zhang, Tiedong Sun, Yunpeng Lu, 2013 .

Ta/SiCN bilayer barrier for Cu–ultra low k integration

Dawei Zhang, P. Foo, L. Y. Yang, 2006 .

Direct folding simulation of a long helix in explicit water

J. H. Zhang, Dawei Zhang, Lili Duan, 2013 .

Simulation of the thermodynamics of folding and unfolding of the Trp-cage mini-protein TC5b using different combinations of force fields and solvation models

J. H. Zhang, Dawei Zhang, Lili Duan, 2010 .

Effects of PHB and SFC charge models on the side chain-side chain interactions in the simulation of β-hairpins

Liben Li, Dawei Zhang, Tiedong Sun, 2019 .

Molecular interactions between glycopeptide vancomycin and bacterial cell wall peptide analogues.

Dawei Zhang, Jie Zhou, B. Xing, 2011, Chemistry.