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J. Andrew McCammon, Ph.D.

Distinguished Professor of Pharmacology and Chemistry

J. Andrew McCammon, Ph.D.

Research Interests

Our group develops and applies computer simulation methods to study biomolecular structure, dynamics and function. With the molecular dynamics method, we use computers to solve the equations of motion of the atoms in enzymes, and to evaluate how well inhibitor molecules such as possible new pharmaceuticals bind. Students trained in our group can choose among a variety of career paths in universities, industry, or government laboratories. 

Selected Publications

Sztain, T., S.H. Ahn, A.T. Bogetti, L. Casalino, J.A. Goldsmith, E. Seitz, R.S. McCool, F.L. Kearns, F. Acosta-Reyes, S. Maji, G. Mashayekhi, J.A. McCammon, A. Ourmazd, J. Frank, J.S. McLellan, L.T. Chong, R.E. Amaro. A glycan gate controls opening of the SARS-CoV-2 spike protein. Nature Chemistry in press (2021).

Sztain, T., R. Amaro, J.A. McCammon. Elucidation of cryptic and allosteric pockets within the SARS-CoV-2 protease. J. Chem.Info. Model. in press (2021).

Ahn, S.H., S. Qin, J.Z. Zhang, J.A. McCammon, J. Zhang, H.X. Zhou. Characterizing protein kinase A (PKA) subunits as macromolecular regulators of PKA RIα liquid-liquid phase separation. J. Chem. Phys. 154, 221101 (2021).

Sztain, T., T.G. Bartholow, D.J. Lee, L. Casalino, A. Mitchell, J. Wang, M.A. Young, J. A. McCammon, M.D. Burkart. Decoding allosteric regulation by the acyl carrier protein. Proc. Natl. Acad. Sci.118, e2025597118 (2021).

Rahmani, H., W. Ma, Z. Hu, N. Daneshparvar, D.W. Taylor, J.A. McCammon, T.C. Irving, R.J. Edwards, K.A. Taylor. The Myosin II Coiled-Coil Domain Atomic Structure in its Native Environment. Proc. Natl. Acad. Sci. 118, e2024151118 (2021).

Seitz, C., L. Casalino, R. Konecny, G. Huber, R. E. Amaro, J. A. McCammon. Multiscale simulations examining glycan shield effects on drug binding to influenza neuraminidase. Biophys. J. 119, 2275–2289 (2020).

McCabe, K.J., Aboelkassem, Y., Teitgen, A.E., Huber, G.A., McCammon, J.A., Regnier, M., McCulloch, A.D. Predicting the effects of dATP on cardiac contraction using multiscale modeling of the sarcomere. Arch. Biochem. Biophys. 695, 108582 (2020).

 

Divisions

Cardiovascular & Metabolic Diseases
Immunology, Inflammation, & Infectious Diseases

Programs

Biochemical, Biophysical and Structural Pharmacology Program
Signaling & Molecular Pharmacology

CONTACT

(858) 534-2905


jmccammon@ucsd.edu

Websites

UCSD Profile
McCammon Lab