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An artificial intelligence accelerated virtual screening platform for drug discovery Zhou, Guangfeng; Rusnac, Domnita-Valeria; Park, Hahnbeom; Canzani, Daniele; Nguyen, Hai Minh; Stewart, Lance; Bush, Matthew F.; Nguyen, Phuong Tran; Wulff, Heike; Yarov-Yarovoy, Vladimir; Zheng, Ning; Dimaio, Frank 分享 收藏
De novo design of pH-responsive self-assembling helical protein filaments Shen, Hao; Lynch, Eric M.; Akkineni, Susrut; Watson, Joseph L.; Decarreau, Justin; Bethel, Neville P.; Benna, Issa; Sheffler, William; Farrell, Daniel; Dimaio, Frank; Derivery, Emmanuel; De Yoreo, James J.; Kollman, Justin; Baker, David 分享 收藏
De novo design of highly selective miniprotein inhibitors of integrins αvβ6 and αvβ8 Roy, Anindya; Shi, Lei; Chang, Ashley; Dong, Xianchi; Fernandez, Andres; Kraft, John C.; Li, Jing; Le, Viet Q.; Winegar, Rebecca Viazzo; Cherf, Gerald Maxwell; Slocum, Dean; Poulson, P. Daniel; Casper, Garrett E.; Vallecillo-Zuniga, Mary L.; Valdoz, Jonard Corpuz; Miranda, Marcos C.; Bai, Hua; Kipnis, Yakov; Olshefsky, Audrey; Priya, Tanu; Carter, Lauren; Ravichandran, Rashmi; Chow, Cameron M.; Johnson, Max R.; Cheng, Suna; Smith, McKaela; Overed-Sayer, Catherine; Finch, Donna K.; Lowe, David; Bera, Asim K.; Matute-Bello, Gustavo; Birkland, Timothy P.; DiMaio, Frank; Raghu, Ganesh; Cochran, Jennifer R.; Stewart, Lance J.; Campbell, Melody G.; Van Ry, Pam M.; Springer, Timothy; Baker, David 分享 收藏
Improving de novo protein binder design with deep learning 利用深度学习改进从头蛋白质结合剂设计 Bennett, Nathaniel R.; Coventry, Brian; Goreshnik, Inna; Huang, Buwei; Allen, Aza; Vafeados, Dionne; Peng, Ying Po; Dauparas, Justas; Baek, Minkyung; Stewart, Lance; DiMaio, Frank; De Munck, Steven; Savvides, Savvas N.; Baker, David 分享 收藏
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The Rosetta All-Atom Energy Function for Macromolecular Modeling and Design (vol 13, pg 3031, 2017) Alford, Rebecca F.; Leaver-Fay, Andrew; Jeliazkov, Jeliazko R.; O'Meara, Matthew J.; DiMaio, Frank P.; Park, Hahnbeom; V. Shapovalov, Maxim; Renfrew, P. Douglas; Mulligan, Vikram K.; Kappel, Kalli; Labonte, Jason W.; Pacella, Michael S.; Bonneau, Richard; Bradley, Philip; Dunbrack, Roland L.; Das, Rhiju; Baker, David; Kuhlman, Brian; Kortemme, Tanja; Gray, Jeffrey J. 分享 收藏
Seipin forms a flexible cage at lipid droplet formation sites Arlt, Henning; Sui, Xuewu; Folger, Brayden; Adams, Carson; Chen, Xiao; Remme, Roman; Hamprecht, Fred A.; DiMaio, Frank; Liao, Maofu; Goodman, Joel M.; Farese, Robert V., Jr.; Walther, Tobias C. 分享 收藏
Treponema pallidum genome sequencing from six continents reveals variability in vaccine candidate genes and dominance of Nichols clade strains in Madagascar Lieberman, Nicole A. P.; Lin, Michelle J.; Xie, Hong; Shrestha, Lasata; Nguyen, Tien; Huang, Meei-Li; Haynes, Austin M.; Romeis, Emily; Wang, Qian-Qiu; Zhang, Rui-Li; Kou, Cai-Xia; Ciccarese, Giulia; Dal Conte, Ivano; Cusini, Marco; Drago, Francesco; Nakayama, Shu-ichi; Lee, Kenichi; Ohnishi, Makoto; Konda, Kelika A.; Vargas, Silver K.; Eguiluz, Maria; Caceres, Carlos F.; Klausner, Jeffrey D.; Mitja, Oriol; Rompalo, Anne; Mulcahy, Fiona; Hook, Edward W.; Lukehart, Sheila A.; Casto, Amanda M.; Roychoudhury, Pavitra; DiMaio, Frank; Giacani, Lorenzo; Greninger, Alexander L. 分享 收藏
De novo protein design by deep network hallucination 基于深度网络幻觉的从头蛋白质设计 Anishchenko, Ivan; Pellock, Samuel J.; Chidyausiku, Tamuka M.; Ramelot, Theresa A.; Ovchinnikov, Sergey; Hao, Jingzhou; Bafna, Khushboo; Norn, Christoffer; Kang, Alex; Bera, Asim K.; DiMaio, Frank; Carter, Lauren; Chow, Cameron M.; Montelione, Gaetano T.; Baker, David 分享 收藏
Ensuring scientific reproducibility in bio-macromolecular modeling via extensive, automated benchmarks Leman, Julia Koehler; Lyskov, Sergey; Lewis, Steven M.; Adolf-Bryfogle, Jared; Alford, Rebecca F.; Barlow, Kyle; Ben-Aharon, Ziv; Farrell, Daniel; Fell, Jason; Hansen, William A.; Harmalkar, Ameya; Jeliazkov, Jeliazko; Kuenze, Georg; Krys, Justyna D.; Ljubetic, Ajasja; Loshbaugh, Amanda L.; Maguire, Jack; Moretti, Rocco; Mulligan, Vikram Khipple; Nance, Morgan L.; Nguyen, Phuong T.; Conchuir, Shane O.; Burman, Shourya S. Roy; Samanta, Rituparna; Smith, Shannon T.; Teets, Frank; Tiemann, Johanna K. S.; Watkins, Andrew; Woods, Hope; Yachnin, Brahm J.; Bahl, Christopher D.; Bailey-Kellogg, Chris; Baker, David; Das, Rhiju; DiMaio, Frank; Khare, Sagar D.; Kortemme, Tanja; Labonte, Jason W.; Lindorff-Larsen, Kresten; Meiler, Jens; Schief, William; Schueler-Furman, Ora; Siegel, Justin B.; Stein, Amelie; Yarov-Yarovoy, Vladimir; Kuhlman, Brian; Leaver-Fay, Andrew; Gront, Dominik; Gray, Jeffrey J.; Bonneau, Richard 分享 收藏
Structure of the phosphoinositide 3-kinase (PI3K) p110γ-p101 complex reveals molecular mechanism of GPCR activation Rathinaswamy, Manoj K.; Dalwadi, Udit; Fleming, Kaelin D.; Adams, Carson; Stariha, Jordan T. B.; Pardon, Els; Baek, Minkyung; Vadas, Oscar; DiMaio, Frank; Steyaert, Jan; Hansen, Scott D.; Yip, Calvin K.; Burke, John E. 分享 收藏
Discovery and Characterization of Spike N-Terminal Domain-Binding Aptamers for Rapid SARS-CoV-2 Detection Kacherovsky, Nataly; Yang, Lucy F.; Dang, Ha, V; Cheng, Emmeline L.; Cardle, Ian I.; Walls, Alexandra C.; McCallum, Matthew; Sellers, Drew L.; DiMaio, Frank; Salipante, Stephen J.; Corti, Davide; Veesler, David; Pun, Suzie H. 分享 收藏
Computational design of a synthetic PD-1 agonist Cassie, M. Bryana; Rocklin, Gabriel J.; Bick, Matthew J.; Ford, Alex; Majri-Morrison, Sonia; Kroll, Ashley V.; Miller, Chad J.; Carter, Lauren; Goreshnik, Inna; Kang, Alex; DiMaio, Frank; Tarbell, Kristin V.; Baker, David 分享 收藏
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