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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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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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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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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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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Mechanism of Coupled Folding-upon-Binding of an Intrinsically Disordered Protein von Robustelli, Paul, Piana, Stefano, 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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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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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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Protein folding kinetics and thermodynamics from atomistic simulation von Piana, Stefano, Lindorff-Larsen, Kresten, 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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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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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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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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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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Mechanism of NMDA receptor channel block by MK-801 and memantine von Song, Xianqiang, Jensen, Morten Ø., Jogini, Vishwanath, Stein, Richard A., Lee, Chia-Hsueh, Mchaourab, Hassane S., Shaw, David E., Gouaux, Eric

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Structural origin of slow diffusion in protein folding von Chung, Hoi Sung, Piana-Agostinetti, Stefano, Shaw, David E., Eaton, William A.

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Mechanism of Voltage Gating in Potassium Channels von Jensen, Morten Ø., Jogini, Vishwanath, Borhani, David W., Leffler, Abba E., Dror, Ron 0., Shaw, David E.

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