• 747 Citations
  • 16 h-Index
20042022

Research output per year

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Personal profile

Area of Expertise

My lab is broadly interested in the development and application of computational methods to solve problems in pharmaceutical sciences. We integrate pharmaceutical sciences with computer sciences, chemistry, biology, and physics to develop new biotechnologies, understand molecular mechanisms underlying diseases, and design new drugs. Specifically, we are interested in protein allostery study, computer-aided drug design, CRISPR-Cas9 technology improvement, artificial intelligence (AI) for drug discovery, and big data analysis of health disparity diseases. We extensively engage in dynamic collaborations with various experimental labs with a goal to bridge the interface of computational, experimental, and clinical research.

Education/Academic qualification

PhD in Chemistry, Ohio State University

Award Date: 1 Jan 2001

BS in Chemistry, Peking University

Award Date: 1 Jan 2000

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Projects

Research Output

  • 747 Citations
  • 16 h-Index
  • 27 Article
  • 2 Review article
  • 1 Comment/debate
  • 1 Editorial

A Genetically Encoded, Phage-Displayed Cyclic-Peptide Library

Wang, X. S., Chen, P. H. C., Hampton, J. T., Tharp, J. M., Reed, C. A., Das, S. K., Wang, D. S., Hayatshahi, H. S., Shen, Y., Liu, J. & Liu, W. R., 28 Oct 2019, In : Angewandte Chemie - International Edition. 58, 44, p. 15904-15909 6 p.

Research output: Contribution to journalArticle

  • 4 Scopus citations

    Assessing the Performance of the Nonbonded Mg2+ Models in a Two-Metal-Dependent Ribonuclease

    Zuo, Z. & Liu, J., 28 Jan 2019, In : Journal of Chemical Information and Modeling. 59, 1, p. 399-408 10 p.

    Research output: Contribution to journalArticle

  • 2 Scopus citations

    Design, synthesis, and evaluation of N-(4-(4-phenyl piperazin-1-yl)butyl)-4-(thiophen-3-yl)benzamides as selective dopamine D3 receptor ligands

    Chen, P. J., Taylor, M., Griffin, S. A., Amani, A., Hayatshahi, H., Korzekwa, K., Ye, M., Mach, R. H., Liu, J., Luedtke, R. R., Gordon, J. C. & Blass, B. E., 15 Sep 2019, In : Bioorganic and Medicinal Chemistry Letters. 29, 18, p. 2690-2694 5 p.

    Research output: Contribution to journalArticle

  • Probing Protein Allostery as a Residue-Specific Concept via Residue Response Maps

    Hayatshahi, H. S., Ahuactzin, E., Tao, P., Wang, S. & Liu, J., 1 Jan 2019, (Accepted/In press) In : Journal of Chemical Information and Modeling.

    Research output: Contribution to journalArticle

  • 1 Scopus citations

    Structural and functional insights into the bona fide catalytic state of Streptococcus pyogenes Cas9 HNH nuclease domain

    Zuo, Z., Zolekar, A., Babu, K., Lin, V. J. T., Hayatshahi, H. S., Rajan, R., Wang, Y. C. & Liu, J., Jul 2019, In : eLife. 8, e46500.

    Research output: Contribution to journalArticle

    Open Access
  • 1 Scopus citations