McCammon, J. Andrew

Allostery in Its Many Disguises: From Theory to Applications

Wodak, S. J., Paci, E., Dokholyan, N. V., Berezovsky, I. N., Horovitz, A., Li, J., Hilser, V. J., Bahar, I., Karanicolas, J., Stock, G., et al. (2019) · Structure

Protein Structure and DynamicsReceptor Mechanisms and Signaling

Cited by 404

Accelerated molecular dynamics simulations of protein folding

Miao, Y., Feixas, F., Eun, C., & McCammon, J. A. (2015) · Journal of Computational Chemistry

Protein Structure and DynamicsRNA and protein synthesis mechanisms

Cited by 202

Exploring the role of receptor flexibility in structure-based drug discovery

Feixas, F., Lindert, S., Sinko, W., & McCammon, J. A. (2014) · Biophysical Chemistry

Computational Drug Discovery MethodsProtein Structure and Dynamics

Cited by 156

Key role of the REC lobe during CRISPR–Cas9 activation by ‘sensing’, ‘regulating’, and ‘locking’ the catalytic HNH domain

Palermo, G., Chen, J. S., Ricci, C. G., Rivalta, I., Jinek, M., Batista, V. S., Doudna, J. A., & McCammon, J. A. (2018) · Quarterly Reviews of Biophysics

CRISPR and Genetic EngineeringProtein Structure and Dynamics

Cited by 123

Membranes serve as allosteric activators of phospholipase A 2 , enabling it to extract, bind, and hydrolyze phospholipid substrates

Mouchlis, V. D., Bucher, D., McCammon, J. A., & Dennis, E. A. (2015) · Proceedings of the National Academy of Sciences

Lipid Membrane Structure and BehaviorProtein Structure and Dynamics

Cited by 97

G-protein coupled receptors: advances in simulation and drug discovery

Miao, Y., & McCammon, J. A. (2016) · Current Opinion in Structural Biology

Receptor Mechanisms and SignalingComputational Drug Discovery Methods

Cited by 93

Electrostatically biased binding of kinesin to microtubules

Grant, B. J., M. Gheorghe, D., Zheng, W., Alonso, M., Huber, G., Dlugosz, M., McCammon, J. A., & Cross, R. A. (2011) · PLoS Biology

Microtubule and mitosis dynamicsProtein Structure and Dynamics

Cited by 67

How does activation loop phosphorylation modulate catalytic activity in the cAMP-dependent protein kinase: a theoretical study

Cheng, Y., Zhang, Y., & McCammon, J. A. (2006) · Protein Science

Protein Structure and DynamicsProtein Kinase Regulation and GTPase Signaling

Cited by 62

Gaussian accelerated molecular dynamics with the weighted ensemble method: a hybrid method improves thermodynamic and kinetic sampling

Ahn, S.-H., Ojha, A., Amaro, R., & McCammon, J. (2021) · Journal of Chemical Theory and Computation

Advanced Physical and Chemical Molecular InteractionsProtein Structure and Dynamics

Cited by 40

Gaussian accelerated molecular dynamics with the weighted ensemble method: a hybrid method improves thermodynamics and kinetics sampling

Ahn, S.-H., Ojha, A., Amaro, R., & McCammon, J. (2021) · Journal of Chemical Theory and Computation

Advanced Physical and Chemical Molecular InteractionsProtein Structure and Dynamics

Cited by 40

Integrating comparative modeling and accelerated simulations reveals conformational and energetic basis of actomyosin force generation

Ma, W., You, S., Regnier, M., & McCammon, J. A. (2022) · Proceedings of the National Academy of Sciences

Protein Structure and DynamicsCardiomyopathy and Myosin Studies

Cited by 12

Integrating comparative modeling and accelerated simulations reveals conformational and energetic basis of actomyosin force generation

Ma, W., You, S., Regnier, M., & McCammon, J. A. (2023) · Proceedings of the National Academy of Sciences

Protein Structure and DynamicsCardiomyopathy and Myosin Studies

Cited by 12

Targeting Tuberculosis: Novel Scaffolds for Inhibiting Cytochrome bd Oxidase

Seitz, C., Ahn, S.-H., Wei, H., Kyte, M., Cook, G. M., Krause, K. L., & McCammon, J. A. (2024) · Journal of Chemical Information and Modeling

Computational Drug Discovery MethodsTuberculosis Research and Epidemiology

Cited by 11

Targeting Tuberculosis: Novel Scaffolds for Inhibiting Cytochrome bd Oxidase

Seitz, C., Ahn, S.-H., Wei, H., Kyte, M., Cook, G. M., Krause, K., & McCammon, J. A. (2024) · Journal of Chemical Information and Modeling

Computational Drug Discovery MethodsTuberculosis Research and Epidemiology

Cited by 11

Markovian state models uncover casein kinase 1 dynamics that govern circadian period

Ricci, C. G., Philpott, J. M., Torgrimson, M. R., Freeberg, A. M., Narasimamurthy, R., Pécora de Barros, E., Amaro, R., Virshup, D. M., McCammon, J. A., & Partch, C. L. (2025) · Biophysical Journal

Circadian rhythm and melatoninProtein Structure and Dynamics

Cited by 3

Markovian State Models uncover Casein Kinase 1 dynamics that govern circadian period

Ricci, C. G., Philpott, J. M., Torgrimson, M. R., Freeberg, A. M., Narasimamurthy, R., Pécora de Barros, E., Amaro, R., Virshup, D. M., McCammon, J. A., & Partch, C. L. (2025) · Biophysical Journal

Circadian rhythm and melatoninProtein Structure and Dynamics

Cited by 3

Gaussian accelerated molecular dynamics with the weighted ensemble method: a hybrid method improves thermodynamics and kinetics sampling

Ahn, S.-H., Ojha, A., Amaro, R., & McCammon, J. (2021)

Advanced Physical and Chemical Molecular InteractionsProtein Structure and Dynamics

Cited by 1