How Robust Are Protein Folding Simulations with Respect to Force Field Parameterization? von Piana, Stefano, Lindorff-Larsen, Kresten, Shaw, David E.

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Developing a molecular dynamics force field for both folded and disordered protein states von Robustelli, Paul, Piana, Stefano, Shaw, David E.

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Architecture and Membrane Interactions of the EGF Receptor von Arkhipov, Anton, Shan, Yibing, Das, Rahul, Endres, Nicholas F., Eastwood, Michael P., Wemmer, David E., Kuriyan, John, Shaw, David E.

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Conformational Coupling across the Plasma Membrane in Activation of the EGF Receptor von Endres, Nicholas F., Das, Rahul, Smith, Adam W., Arkhipov, Anton, Kovacs, Erika, Huang, Yongjian, Pelton, Jeffrey G., Shan, Yibing, Shaw, David E., Wemmer, David E., Groves, Jay T., Kuriyan, John

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Systematic validation of protein force fields against experimental data von Lindorff-Larsen, Kresten, Maragakis, Paul, Piana, Stefano, Eastwood, Michael P, Dror, Ron O, Shaw, David E

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Water Dispersion Interactions Strongly Influence Simulated Structural Properties of Disordered Protein States von Piana, Stefano, Donchev, Alexander G, Robustelli, Paul, Shaw, David E

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Mechanism of Coupled Folding-upon-Binding of an Intrinsically Disordered Protein von Robustelli, Paul, Piana, Stefano, Shaw, David E

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RNA force field with accuracy comparable to state-of-the-art protein force fields von Tan, Dazhi, Piana, Stefano, Dirks, Robert M., Shaw, David E.

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Oncogenic Mutations Counteract Intrinsic Disorder in the EGFR Kinase and Promote Receptor Dimerization von Shan, Yibing, Eastwood, Michael P., Zhang, Xuewu, Kim, Eric T., Arkhipov, Anton, Dror, Ron O., Jumper, John, Kuriyan, John, Shaw, David E.

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How Fast-Folding Proteins Fold von Lindorff-Larsen, Kresten, Piana, Stefano, Dror, Ron O., Shaw, David E.

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Atomic-level description of ubiquitin folding von Piana, Stefano, Lindorff-Larsen, Kresten, Shaw, David E.

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Assessing the accuracy of physical models used in protein-folding simulations: quantitative evidence from long molecular dynamics simulations von Piana, Stefano, Klepeis, John L, Shaw, David E

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Development of a Force Field for the Simulation of Single-Chain Proteins and Protein–Protein Complexes von Piana, Stefano, Robustelli, Paul, Tan, Dazhi, Chen, Songela, Shaw, David E

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IRAK4 Dimerization and trans-Autophosphorylation Are Induced by Myddosome Assembly von Ferrao, Ryan, Zhou, Hao, Shan, Yibing, Liu, Qun, Li, Qiubai, Shaw, David E., Li, Xiaoxia, Wu, Hao

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Protein folding kinetics and thermodynamics from atomistic simulation von Piana, Stefano, Lindorff-Larsen, Kresten, Shaw, David E

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Atomic-level characterization of protein–protein association von Pan, Albert C., Jacobson, Daniel, Yatsenko, Konstantin, Sritharan, Duluxan, Weinreich, Thomas M., Shaw, David E.

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Hypoxic Hypoxia and Brain Function in Military Aviation: Basic Physiology and Applied Perspectives von Shaw, David M., Cabre, Gus, Gant, Nicholas

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T-cells and their cytokine production: The anti-inflammatory and immunosuppressive effects of strenuous exercise von Shaw, David M., Merien, Fabrice, Braakhuis, Andrea, Dulson, Deborah

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The Dynamic Process of β2-Adrenergic Receptor Activation von Nygaard, Rie, Zou, Yaozhong, Dror, Ron O., Mildorf, Thomas J., Arlow, Daniel H., Manglik, Aashish, Pan, Albert C., Liu, Corey W., Fung, Juan José, Bokoch, Michael P., Thian, Foon Sun, Kobilka, Tong Sun, Shaw, David E., Mueller, Luciano, Prosser, R. Scott, Kobilka, Brian K.

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How does a small molecule bind at a cryptic binding site? von Shan, Yibing, Mysore, Venkatesh P, Leffler, Abba E, Kim, Eric T, Sagawa, Shiori, Shaw, David E

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