Evaluating the effects of cutoffs and treatment of long-range electrostatics in protein folding simulations.

por Stefano Piana, Kresten Lindorff-Larsen, Robert M Dirks, John K Salmon, Ron O Dror, David E Shaw
Publicado 2012

Structural basis for ALK2/BMPR2 receptor complex signaling through kinase domain oligomerization

por Christopher Agnew, Pelin Ayaz, Risa Kashima, Hanna S. Loving, Prajakta Ghatpande, Jennifer E. Kung, Eric S. Underbakke, Yibing Shan, David E. Shaw, Akiko Hata, Natalia Jura
Publicado 2021

Quantum chemical benchmark databases of gold-standard dimer interaction energies

por Alexander G. Donchev, Andrew G. Taube, Elizabeth Decolvenaere, Cory Hargus, Robert T. McGibbon, Ka-Hei Law, Brent A. Gregersen, Je-Luen Li, Kim Palmo, Karthik Siva, Michael Bergdorf, John L. Klepeis, David E. Shaw
Publicado 2021

EGFR oligomerization organizes kinase-active dimers into competent signalling platforms

por Sarah R. Needham, Selene K. Roberts, Anton Arkhipov, Venkatesh P. Mysore, Christopher J. Tynan, Laura C. Zanetti-Domingues, Eric T. Kim, Valeria Losasso, Dimitrios Korovesis, Michael Hirsch, Daniel J. Rolfe, David T. Clarke, Martyn D. Winn, Alireza Lajevardipour, Andrew H. A. Clayton, Linda J. Pike, Michela Perani, Peter J. Parker, Yibing Shan, David E. Shaw, Marisa L. Martin-Fernandez
Publicado 2016

The architecture of EGFR’s basal complexes reveals autoinhibition mechanisms in dimers and oligomers

por Laura C. Zanetti-Domingues, Dimitrios Korovesis, Sarah R. Needham, Christopher J. Tynan, Shiori Sagawa, Selene K. Roberts, Antonija Kuzmanic, Elena Ortiz-Zapater, Purvi Jain, Rob C. Roovers, Alireza Lajevardipour, Paul M. P. van Bergen en Henegouwen, George Santis, Andrew H. A. Clayton, David T. Clarke, Francesco L. Gervasio, Yibing Shan, David E. Shaw, Daniel J. Rolfe, Peter J. Parker, Marisa L. Martin-Fernandez
Publicado 2018

Genome analyses of an aggressive and invasive lineage of the Irish potato famine pathogen.

por David E L Cooke, Liliana M Cano, Sylvain Raffaele, Ruairidh A Bain, Louise R Cooke, Graham J Etherington, Kenneth L Deahl, Rhys A Farrer, Eleanor M Gilroy, Erica M Goss, Niklaus J Grünwald, Ingo Hein, Daniel MacLean, James W McNicol, Eva Randall, Ricardo F Oliva, Mathieu A Pel, David S Shaw, Julie N Squires, Moray C Taylor, Vivianne G A A Vleeshouwers, Paul R J Birch, Alison K Lees, Sophien Kamoun
Publicado 2012