How accurately can one predict drug binding modes using AlphaFold models? by Masha Karelina, Joseph J Noh, Ron O Dror

Get full text

Geometric Deep Learning for Structure-Based Ligand Design by Alexander S. Powers, Helen H. Yu, Patricia Suriana, Rohan V. Koodli, Tianyu Lu, Joseph M. Paggi, Ron O. Dror

Get full text

CryoEM structures of the human CLC-2 voltage-gated chloride channel reveal a ball-and-chain gating mechanism by Mengyuan Xu, Torben Neelands, Alexander S Powers, Yan Liu, Steven D Miller, Grigore D Pintilie, J Du Bois, Ron O Dror, Wah Chiu, Merritt Maduke

Get full text

A non-canonical mechanism of GPCR activation by Alexander S. Powers, Aasma Khan, Joseph M. Paggi, Naomi R. Latorraca, Sarah Souza, Jerry Di Salvo, Jun Lu, Stephen M. Soisson, Jennifer M. Johnston, Adam B. Weinglass, Ron O. Dror

Get full text

Constrained catecholamines gain β2AR selectivity through allosteric effects on pocket dynamics by Xinyu Xu, Jeremy Shonberg, Jonas Kaindl, Mary J. Clark, Anne Stößel, Luis Maul, Daniel Mayer, Harald Hübner, Kunio Hirata, A. J. Venkatakrishnan, Ron O. Dror, Brian K. Kobilka, Roger K. Sunahara, Xiangyu Liu, Peter Gmeiner

Get full text

Author Correction: Constrained catecholamines gain β2AR selectivity through allosteric effects on pocket dynamics by Xinyu Xu, Jeremy Shonberg, Jonas Kaindl, Mary J. Clark, Anne Stößel, Luis Maul, Daniel Mayer, Harald Hübner, Kunio Hirata, A. J. Venkatakrishnan, Ron O. Dror, Brian K. Kobilka, Roger K. Sunahara, Xiangyu Liu, Peter Gmeiner

Get full text

Xanomeline displays concomitant orthosteric and allosteric binding modes at the M4 mAChR by Wessel A. C. Burger, Vi Pham, Ziva Vuckovic, Alexander S. Powers, Jesse I. Mobbs, Yianni Laloudakis, Alisa Glukhova, Denise Wootten, Andrew B. Tobin, Patrick M. Sexton, Steven M. Paul, Christian C. Felder, Radostin Danev, Ron O. Dror, Arthur Christopoulos, Celine Valant, David M. Thal

Get full text

Signaling Modulation Mediated by Ligand Water Interactions with the Sodium Site at μOR by Rohini S. Ople, Nokomis Ramos-Gonzalez, Qiongyu Li, Briana L. Sobecks, Deniz Aydin, Alexander S. Powers, Abdelfattah Faouzi, Benjamin J. Polacco, Sarah M. Bernhard, Kevin Appourchaux, Sashrik Sribhashyam, Shainnel O. Eans, Bowen A. Tsai, Ron O. Dror, Balazs R. Varga, Haoqing Wang, Ruth Hüttenhain, Jay P. McLaughlin, Susruta Majumdar

Get full text