Mechanism of the G-protein mimetic nanobody binding to a muscarinic G-protein-coupled receptor von Miao, Yinglong, McCammon, J. Andrew

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Graded activation and free energy landscapes of a muscarinic G-protein–coupled receptor von Miao, Yinglong, McCammon, J. Andrew

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Accelerated molecular dynamics simulations of ligand binding to a muscarinic G-protein-coupled receptor von Kappel, Kalli, Miao, Yinglong, McCammon, J. Andrew

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Molecular dynamics simulations and drug discovery von Durrant, Jacob D, McCammon, J Andrew

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G-protein coupled receptors: advances in simulation and drug discovery von Miao, Yinglong, McCammon, J Andrew

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Molecular recognition and ligand association von Baron, Riccardo, McCammon, J Andrew

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Integrating comparative modeling and accelerated simulations reveals conformational and energetic basis of actomyosin force generation von Ma, Wen, You, Shengjun, Regnier, Michael, McCammon, J Andrew

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Understanding the mechanistic basis of non-coding RNA through molecular dynamics simulations von Palermo, Giulia, Casalino, Lorenzo, Magistrato, Alessandra, Andrew McCammon, J.

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NNScore 2.0: A Neural-Network Receptor–Ligand Scoring Function von Durrant, Jacob D, McCammon, J. Andrew

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Improvements to the APBS biomolecular solvation software suite von Jurrus, Elizabeth, Engel, Dave, Star, Keith, Monson, Kyle, Brandi, Juan, Felberg, Lisa E., Brookes, David H., Wilson, Leighton, Chen, Jiahui, Liles, Karina, Chun, Minju, Li, Peter, Gohara, David W., Dolinsky, Todd, Konecny, Robert, Koes, David R., Nielsen, Jens Erik, Head‐Gordon, Teresa, Geng, Weihua, Krasny, Robert, Wei, Guo‐Wei, Holst, Michael J., McCammon, J. Andrew, Baker, Nathan A.

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Statistical mechanics and molecular dynamics in evaluating thermodynamic properties of biomolecular recognition von Wereszczynski, Jeff, McCammon, J. Andrew

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Molecular Dynamics:  Survey of Methods for Simulating the Activity of Proteins von Adcock, Stewart A, McCammon, J. Andrew

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Allostery in Its Many Disguises: From Theory to Applications von Wodak, Shoshana J., Paci, Emanuele, Dokholyan, Nikolay V., Berezovsky, Igor N., Horovitz, Amnon, Li, Jing, Hilser, Vincent J., Bahar, Ivet, Karanicolas, John, Stock, Gerhard, Hamm, Peter, Stote, Roland H., Eberhardt, Jerome, Chebaro, Yassmine, Dejaegere, Annick, Cecchini, Marco, Changeux, Jean-Pierre, Bolhuis, Peter G., Vreede, Jocelyne, Faccioli, Pietro, Orioli, Simone, Ravasio, Riccardo, Yan, Le, Brito, Carolina, Wyart, Matthieu, Gkeka, Paraskevi, Rivalta, Ivan, Palermo, Giulia, McCammon, J. Andrew, Panecka-Hofman, Joanna, Wade, Rebecca C., Di Pizio, Antonella, Niv, Masha Y., Nussinov, Ruth, Tsai, Chung-Jung, Jang, Hyunbum, Padhorny, Dzmitry, Kozakov, Dima, McLeish, Tom

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NNScore: A Neural-Network-Based Scoring Function for the Characterization of Protein−Ligand Complexes von Durrant, Jacob D, McCammon, J. Andrew

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Activation and dynamic network of the M2 muscarinic receptor von Miao, Yinglong, Nichols, Sara E., Gasper, Paul M., Metzger, Vincent T., McCammon, J. Andrew

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Mapping the Druggable Allosteric Space of G-Protein Coupled Receptors: a Fragment-Based Molecular Dynamics Approach von Ivetac, Anthony, Andrew McCammon, J

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Exploring the role of receptor flexibility in structure-based drug discovery von Feixas, Ferran, Lindert, Steffen, Sinko, William, McCammon, J. Andrew

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Free energy landscape of G-protein coupled receptors, explored by accelerated molecular dynamics von Miao, Yinglong, Nichols, Sara E, McCammon, J Andrew

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Interfacial plasticity facilitates high reaction rate of E. coli FAS malonyl-CoA: ACP transacylase, FabD von Misson, Laetitia E., Mindrebo, Jeffrey T., Davis, Tony D., Patel, Ashay, McCammon, J. Andrew, Noel, Joseph P., Burkart, Michael D.

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Accounting for Receptor Flexibility and Enhanced Sampling Methods in Computer-Aided Drug Design von Sinko, William, Lindert, Steffen, McCammon, J. Andrew

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