All Stories

  1. Application of Artificial Intelligence in Drug Repurposing: A mini-review

    Article • Current Chinese Science, July 2021, Bentham Science Publishers

    Dr Gurudeeban Selvaraj, Dr. Dongqing Huang Wei

  2. Structures of SARS-CoV-2 RNA-Binding Proteins and Therapeutic Targets

    Article • Intervirology, January 2021, Karger Publishers

    Dr. Dongqing Huang Wei

  3. The Reaction and Microscopic Electron Properties from Dynamic Evolutions of Condensed-Phase RDX Under Shock Loading

    Article • Zeitschrift für Naturforschung A, February 2020, De Gruyter

    Dr. Dongqing Huang Wei

  4. Ion Channels as Therapeutic Targets for Type 1 Diabetes Mellitus

    Article • Current Drug Targets, January 2020, Bentham Science Publishers

    Dr Satyavani Kaliamurthi, Dr Gurudeeban Selvaraj, Chandrabose Selvaraj, Dr William C Cho, Dr. Dongqing Huang Wei

  5. Computational Advances in Chronic Diseases Diagnostics and Therapy - II

    Article • Current Drug Targets, January 2020, Bentham Science Publishers

    Dr Gurudeeban Selvaraj, Dr. Dongqing Huang Wei

  6. Prognostic Impact of TIMP-1 in NSCLC

    Article • Current Medicinal Chemistry, January 2020, Bentham Science Publishers

    Dr Gurudeeban Selvaraj, Dr Satyavani Kaliamurthi, Dr. Dongqing Huang Wei

  7. Molecular docking and molecular dynamics simulation studies to identify potent AURKA inhibitors: assessing the performance of density functional theory, MM-GBSA and mass action kinetics calculations

    Article • Journal of Biomolecular Structure and Dynamics, October 2019, Taylor & Francis

    Dr Gurudeeban Selvaraj, Dr. Dongqing Huang Wei, Dr Satyavani Kaliamurthi

  8. New strategy for identifying potential natural HIV-1 non-nucleoside reverse transcriptase inhibitors against drug-resistance: an in silico study

    Article • Journal of Biomolecular Structure and Dynamics, September 2019, Taylor & Francis

    Aman Chandra Kaushik, Dr. Dongqing Huang Wei

  9. Sustainable production of biomass and industrially important secondary metabolites in cell cultures of selfheal (Prunella vulgaris L.) elicited by silver and gold nanoparticles

    Article • Artificial Cells Nanomedicine and Biotechnology, June 2019, Taylor & Francis

    Bilal Haider Abbasi, Dr. Dongqing Huang Wei, syed shujait ali

  10. Survey of Machine Learning Techniques for Prediction of the Isoform Specificity of Cytochrome P450 Substrates

    Article • Current Drug Metabolism, May 2019, Bentham Science Publishers

    Daisuke Kihara, Dr. Dongqing Huang Wei

  11. Cancer Immunoinformatics: A Promising Era in the Development of Peptide Vaccines for Human Papillomavirus-induced Cervical Cancer

    Article • Current Pharmaceutical Design, January 2019, Bentham Science Publishers

    Dr. Dongqing Huang Wei, Dr Gurudeeban Selvaraj, Dr Satyavani Kaliamurthi

  12. Computational Perspective on the Current State of the Methods and New Challenges in Cancer Drug Discovery

    Article • Current Pharmaceutical Design, January 2019, Bentham Science Publishers

    Dr. Dongqing Huang Wei, Dr Gurudeeban Selvaraj, Aman Chandra Kaushik

  13. Structural-dynamic insights into the H. pylori cytotoxin-associated gene A (CagA) and its abrogation to interact with the tumor suppressor protein ASPP2 using decoy peptides

    Article • Journal of Biomolecular Structure and Dynamics, December 2018, Taylor & Francis

    Dr. Dongqing Huang Wei, Muhammad Tahir khan, Aman Chandra Kaushik

  14. The systematic modeling studies and free energy calculations of the phenazine compounds as anti-tuberculosis agents

    Article • Journal of Biomolecular Structure and Dynamics, November 2018, Taylor & Francis

    Dr. Dongqing Huang Wei, Aman Chandra Kaushik

  15. Designing of CD8+ and CD8+-overlapped CD4+ epitope vaccine by targeting proteins of HPV

    Article • Biologics Targets and Therapy, October 2018, Dove Medical Press

    Dr. Dongqing Huang Wei, Dr Gurudeeban Selvaraj, Dr Satyavani Kaliamurthi, Aman Chandra Kaushik

  16. Network Pharmacology: Exploring the Resources and Methodologies

    Article • Current Topics in Medicinal Chemistry, September 2018, Bentham Science Publishers

    Dr. Dongqing Huang Wei

  17. p.R180C mutation of glycosyltransferase B leads to B subgroup, an in vitro and in silico study

    Article • Vox Sanguinis, May 2018, Wiley

    Dr. Dongqing Huang Wei

  18. Recent Studies of Mitochondrial SLC25: Integration of Experimental and Computational Approaches

    Article • Current Protein and Peptide Science, March 2018, Bentham Science Publishers

    Dr. Dongqing Huang Wei, Dr. Faez Iqbal Khan

  19. Improved Prediction of Michaelis Constants in CYP450-Mediated Reactions by Resilient Back Propagation Algorithm

    Article • Current Drug Metabolism, July 2016, Bentham Science Publishers

    Dr. Dongqing Huang Wei

  20. Spirofluorenexanthene (SFX)-based organic semiconductors for the application of OLEDs

    Article • Chinese Science Bulletin (Chinese Version), January 2015, Science China Press., Co. Ltd.

    Dr. Dongqing Huang Wei

  21. Human Cytochrome P450 and Personalized Medicine

    Article • November 2014, Springer Science + Business Media

    Dr. Dongqing Huang Wei

  22. Molecular Modeling of Two CYP2C19 SNPs and its Implications for Personalized Drug Design

    Article • July 2014, Bentham Science Publishers

    Dr. Dongqing Huang Wei

  23. Handbook of Research on Computational and Systems Biology

    Article • January 2011, IGI Global

    Dr. Dongqing Huang Wei

  24. The Electron-Transfer Rate Processes In Biological Systems

    Article • January 2009, American Institute of Physics

    Dr. Dongqing Huang Wei

  25. Vibrational properties of molecule and crystal of TATB: A comparative density functional study

    Article • Physics Letters A, October 2006, Elsevier

    Dr. Dongqing Huang Wei

  26. Compressibility of liquid nitromethane in the high-pressure regime

    Article • Physica B Condensed Matter, June 2006, Elsevier

    Dr. Dongqing Huang Wei

  27. Correlations of amino acids in proteins

    Article • Peptides, December 2003, Elsevier

    Dr. Dongqing Huang Wei

  28. Ab Initio Molecular Dynamics Simulations of Molecular Collisions of Nitromethane

    Article • January 2002, American Institute of Physics

    Dr. Dongqing Huang Wei

  29. Conformational dynamics of an alanine dipeptide analog: Anab initiomolecular dynamics study

    Article • June 2001, American Physical Society (APS)

    Dr. Dongqing Huang Wei

  30. Hydrated proton clusters: Ab initio molecular dynamics simulation and simulated annealing

    Article • The Journal of Chemical Physics, April 1997, American Institute of Physics

    Dr. Dongqing Huang Wei

  31. Solvation thermodynamic functions in the mean spherical approximation: Behavior near the solvent critical region

    Article • The Journal of Chemical Physics, March 1995, American Institute of Physics

    Dr. Dongqing Huang Wei

  32. A combined density functional and molecular dynamics simulation of a quantum water molecule in aqueous solution

    Article • Chemical Physics Letters, July 1994, Elsevier

    Dr. Dongqing Huang Wei

  33. Field-induced phase transitions of simple dipolar fluids

    Article • March 1994, American Physical Society (APS)

    Dr. Dongqing Huang Wei

  34. Microscopic theory of solvation dynamics in dipolar liquids

    Article • The Journal of Chemical Physics, October 1993, American Institute of Physics

    Dr. Dongqing Huang Wei

  35. Dielectric relaxation of dipolar liquids

    Article • The Journal of Chemical Physics, August 1993, American Institute of Physics

    Dr. Dongqing Huang Wei

  36. Dynamical properties of a ferroelectric nematic liquid crystal

    Article • April 1993, American Physical Society (APS)

    Dr. Dongqing Huang Wei

  37. Orientational order in simple dipolar fluids: Density-functional theory and absolute-stability conditions

    Article • January 1993, American Physical Society (APS)

    Dr. Dongqing Huang Wei

  38. Dielectric relaxation of electrolyte solutions

    Article • The Journal of Chemical Physics, May 1991, American Institute of Physics

    Dr. Dongqing Huang Wei

  39. Dielectric relaxation of liquid mixtures

    Article • The Journal of Chemical Physics, May 1991, American Institute of Physics

    Dr. Dongqing Huang Wei

  40. The interaction between macroparticles in molecular fluids

    Article • The Journal of Chemical Physics, November 1990, American Institute of Physics

    Dr. Dongqing Huang Wei

  41. Critical comments on the nonlocal dielectric function employed in recent theories of the hydration force

    Article • Chemical Physics Letters, August 1990, Elsevier

    Dr. Dongqing Huang Wei

  42. Rotational motion in molecular liquids

    Article • The Journal of Chemical Physics, December 1989, American Institute of Physics

    Dr. Dongqing Huang Wei

  43. Internal energy in the mean spherical approximation as compared to Debye-Hueckel theory

    Article • The Journal of Physical Chemistry, July 1987, American Chemical Society (ACS)

    Dr. Dongqing Huang Wei