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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

BS in Chemistry, Peking University

Fingerprint Dive into the research topics where Jin Liu is active. These topic labels come from the works of this person. Together they form a unique fingerprint.

Cullin Proteins Medicine & Life Sciences
Ubiquitin-Protein Ligases Medicine & Life Sciences
Ubiquitination Medicine & Life Sciences
Molecular Dynamics Simulation Medicine & Life Sciences
Ubiquitin Medicine & Life Sciences
Guide RNA Medicine & Life Sciences
Dopamine D3 Receptors Medicine & Life Sciences
Proteins Engineering & Materials Science

Network Recent external collaboration on country level. Dive into details by clicking on the dots.

Projects 2019 2022

Research Output 2004 2019

  • 717 Citations
  • 16 h-Index
  • 27 Article
  • 2 Review article
  • 1 Comment/debate
  • 1 Editorial
1 Citation (Scopus)

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

Peptide Library
Cyclic Peptides
Bacteriophages
Peptides
Cysteine
1 Citation (Scopus)

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

Ribonucleases
Metals
performance
Lennard-Jones potential
Molecular dynamics

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

Benzamides
Dopamine D3 Receptors
Pharmacokinetics
Dopamine Receptors
Substance-Related Disorders

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

learning method
Proteins
PDS
event
neural network

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
Guide RNA
DNA Cleavage
Streptococcus pyogenes
Catalysis
Clustered Regularly Interspaced Short Palindromic Repeats