How Robust Are Protein Folding Simulations with Respect to Force Field Parameterization?
Piana, Stefano, Lindorff-Larsen, Kresten, Shaw, David E.
Published in Biophysical journal (04.05.2011)
Published in Biophysical journal (04.05.2011)
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Journal Article
Mechanism of Coupled Folding-upon-Binding of an Intrinsically Disordered Protein
Robustelli, Paul, Piana, Stefano, Shaw, David E
Published in Journal of the American Chemical Society (24.06.2020)
Published in Journal of the American Chemical Society (24.06.2020)
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Journal Article
How Fast-Folding Proteins Fold
Lindorff-Larsen, Kresten, Piana, Stefano, Dror, Ron O., Shaw, David E.
Published in Science (American Association for the Advancement of Science) (28.10.2011)
Published in Science (American Association for the Advancement of Science) (28.10.2011)
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Journal Article
Architecture and Membrane Interactions of the EGF Receptor
Arkhipov, Anton, Shan, Yibing, Das, Rahul, Endres, Nicholas F., Eastwood, Michael P., Wemmer, David E., Kuriyan, John, Shaw, David E.
Published in Cell (31.01.2013)
Published in Cell (31.01.2013)
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Journal Article
Atomic-level description of ubiquitin folding
Piana, Stefano, Lindorff-Larsen, Kresten, Shaw, David E.
Published in Proceedings of the National Academy of Sciences - PNAS (09.04.2013)
Published in Proceedings of the National Academy of Sciences - PNAS (09.04.2013)
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Journal Article
Protein folding kinetics and thermodynamics from atomistic simulation
Piana, Stefano, Lindorff-Larsen, Kresten, Shaw, David E
Published in Proceedings of the National Academy of Sciences - PNAS (30.10.2012)
Published in Proceedings of the National Academy of Sciences - PNAS (30.10.2012)
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Journal Article
Conformational Coupling across the Plasma Membrane in Activation of the EGF Receptor
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
Published in Cell (31.01.2013)
Published in Cell (31.01.2013)
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Journal Article
Oncogenic Mutations Counteract Intrinsic Disorder in the EGFR Kinase and Promote Receptor Dimerization
Shan, Yibing, Eastwood, Michael P., Zhang, Xuewu, Kim, Eric T., Arkhipov, Anton, Dror, Ron O., Jumper, John, Kuriyan, John, Shaw, David E.
Published in Cell (11.05.2012)
Published in Cell (11.05.2012)
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Journal Article
Systematic validation of protein force fields against experimental data
Lindorff-Larsen, Kresten, Maragakis, Paul, Piana, Stefano, Eastwood, Michael P, Dror, Ron O, Shaw, David E
Published in PloS one (22.02.2012)
Published in PloS one (22.02.2012)
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Journal Article
IRAK4 Dimerization and trans-Autophosphorylation Are Induced by Myddosome Assembly
Ferrao, Ryan, Zhou, Hao, Shan, Yibing, Liu, Qun, Li, Qiubai, Shaw, David E., Li, Xiaoxia, Wu, Hao
Published in Molecular cell (18.09.2014)
Published in Molecular cell (18.09.2014)
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Journal Article
Mechanism of NMDA receptor channel block by MK-801 and memantine
Song, Xianqiang, Jensen, Morten Ø., Jogini, Vishwanath, Stein, Richard A., Lee, Chia-Hsueh, Mchaourab, Hassane S., Shaw, David E., Gouaux, Eric
Published in Nature (London) (01.04.2018)
Published in Nature (London) (01.04.2018)
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Journal Article
Structural origin of slow diffusion in protein folding
Chung, Hoi Sung, Piana-Agostinetti, Stefano, Shaw, David E., Eaton, William A.
Published in Science (American Association for the Advancement of Science) (25.09.2015)
Published in Science (American Association for the Advancement of Science) (25.09.2015)
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Journal Article
The Dynamic Process of β2-Adrenergic Receptor Activation
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.
Published in Cell (31.01.2013)
Published in Cell (31.01.2013)
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Journal Article
How does a small molecule bind at a cryptic binding site?
Shan, Yibing, Mysore, Venkatesh P, Leffler, Abba E, Kim, Eric T, Sagawa, Shiori, Shaw, David E
Published in PLoS computational biology (01.03.2022)
Published in PLoS computational biology (01.03.2022)
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Journal Article
Picosecond to Millisecond Structural Dynamics in Human Ubiquitin
Lindorff-Larsen, Kresten, Maragakis, Paul, Piana, Stefano, Shaw, David E
Published in The journal of physical chemistry. B (25.08.2016)
Published in The journal of physical chemistry. B (25.08.2016)
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