Induced fit with replica exchange improves protein complex structure prediction. by Ameya Harmalkar, Sai Pooja Mahajan, Jeffrey J Gray

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Colicin-Mediated Transport of DNA through the Iron Transporter FepA by Ruth Cohen-Khait, Ameya Harmalkar, Phuong Pham, Melissa N. Webby, Nicholas G. Housden, Emma Elliston, Jonathan T. S. Hopper, Shabaz Mohammed, Carol V. Robinson, Jeffrey J. Gray, Colin Kleanthous

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Toward generalizable prediction of antibody thermostability using machine learning on sequence and structure features by Ameya Harmalkar, Roshan Rao, Yuxuan Richard Xie, Jonas Honer, Wibke Deisting, Jonas Anlahr, Anja Hoenig, Julia Czwikla, Eva Sienz-Widmann, Doris Rau, Austin J. Rice, Timothy P. Riley, Danqing Li, Hannah B. Catterall, Christine E. Tinberg, Jeffrey J. Gray, Kathy Y. Wei

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Ensuring scientific reproducibility in bio-macromolecular modeling via extensive, automated benchmarks by Julia Koehler Leman, Sergey Lyskov, Steven M. Lewis, Jared Adolf-Bryfogle, Rebecca F. Alford, Kyle Barlow, Ziv Ben-Aharon, Daniel Farrell, Jason Fell, William A. Hansen, Ameya Harmalkar, Jeliazko Jeliazkov, Georg Kuenze, Justyna D. Krys, Ajasja Ljubetič, Amanda L. Loshbaugh, Jack Maguire, Rocco Moretti, Vikram Khipple Mulligan, Morgan L. Nance, Phuong T. Nguyen, Shane Ó Conchúir, Shourya S. Roy Burman, Rituparna Samanta, Shannon T. Smith, Frank Teets, Johanna K. S. Tiemann, Andrew Watkins, Hope Woods, Brahm J. Yachnin, Christopher D. Bahl, Chris Bailey-Kellogg, David Baker, Rhiju Das, Frank DiMaio, Sagar D. Khare, Tanja Kortemme, Jason W. Labonte, Kresten Lindorff-Larsen, Jens Meiler, William Schief, Ora Schueler-Furman, Justin B. Siegel, Amelie Stein, Vladimir Yarov-Yarovoy, Brian Kuhlman, Andrew Leaver-Fay, Dominik Gront, Jeffrey J. Gray, Richard Bonneau

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