J. Andrew McCammon, Ph.D.
Distinguished Professor of Pharmacology and Chemistry
J. Andrew McCammon, Ph.D.
Distinguished Professor of Pharmacology, Emeritus
Distinguished Professor of the Graduate Division, Chemistry and Biochemistry
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
Ma, W., S. You, M. Regnier, J.A. McCammon. Integrating comparative modeling and accelerated simulations reveals conformational and energetic basis of actomyosin force generation. Proc. Natl. Acad. Sci. USA 120, e2215836120 (2023).
Weng, J.-H, W. Ma, J. Wu, S. Silletti, J.A. McCammon, S. Taylor. Capturing differences in the regulation of LRRK2 dynamics and conformational states by small molecule kinase inhibitors. ACS Chem. Biol. 18, 810–821 (2023).
Philpott, J.M., A.M. Freeberg, J. Park, K. Lee, C.G. Ricci, S.R. Hunt, R. Narasimamurthy, D.H. Segal, R. Robles, Y. Cai, S. Tripathi, J.A. McCammon, D.M. Virshup, J.C. Chiu, C. Lee, C.L. Partch. PERIOD phosphorylation leads to feedback inhibition of CK1 activity to control circadian period. Molecular Cell. 83, 1677-1692 (2023).
Laughlin, T.G., A. Deep, A.M. Prichard, C. Seitz Y. Gu, E. Enustun, S. Suslov, K. Khanna1, E.A. Birkholz, E. Armbruster, J.A. McCammon, R.E. Amaro, J. Pogliano, K.D. Corbett, E. Villa. Architecture and self-assembly of the jumbo bacteriophage nuclear shell. Nature. 608, 429-436 (2022).
Corpuz, J.C., A. Patel, T.D. Davis, L.M. Podust, J.A. McCammon, M.D. Burkart. Essential Role of Loop Dynamics in Type II NRPS Biomolecular Recognition. ACS Chemical Biology. 17, 2890−2898 (2022).
Takahashi Y., K. Bosmans, P.-K Hsu, K. Paul, C.-Y. Yeh, Y.-S. Wang, D. Yarmolinsky, M. Sierla, T. Vahisalu, C. Seitz, J.A. McCammon, J. Kangasjarvi, H. Kollist, L. Zhang, T. Trac, J.I. Schroeder. Stomatal CO2/bicarbonate Sensor Consists of Two Interacting Protein Kinases, Raf-like HT1 and non-kinase-activity requiring MPK12/MPK4. Sci. Adv.. 8, eabq6161 (2022).
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).