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

Substrate-induced conformational dynamics of the dopamine transporter

por Anne Kathrine Nielsen, Ingvar R. Möller, Yong Wang, Søren G. F. Rasmussen, Kresten Lindorff-Larsen, Kasper D. Rand, Claus J. Loland
Publicado 2019

A combined computational and structural model of the full-length human prolactin receptor

por Katrine Bugge, Elena Papaleo, Gitte W. Haxholm, Jonathan T. S. Hopper, Carol V. Robinson, Johan G. Olsen, Kresten Lindorff-Larsen, Birthe B. Kragelund
Publicado 2016

Synergistic stabilization of a double mutant in chymotrypsin inhibitor 2 from a library screen in E. coli

por Louise Hamborg, Daniele Granata, Johan G. Olsen, Jennifer Virginia Roche, Lasse Ebdrup Pedersen, Alex Toftgaard Nielsen, Kresten Lindorff-Larsen, Kaare Teilum
Publicado 2021

Side chain to main chain hydrogen bonds stabilize a polyglutamine helix in a transcription factor

por Albert Escobedo, Busra Topal, Micha B. A. Kunze, Juan Aranda, Giulio Chiesa, Daniele Mungianu, Ganeko Bernardo-Seisdedos, Bahareh Eftekharzadeh, Margarida Gairí, Roberta Pierattelli, Isabella C. Felli, Tammo Diercks, Oscar Millet, Jesús García, Modesto Orozco, Ramon Crehuet, Kresten Lindorff-Larsen, Xavier Salvatella
Publicado 2019

Cryo-EM reveals the architecture of placental malaria VAR2CSA and provides molecular insight into chondroitin sulfate binding

por Kaituo Wang, Robert Dagil, Thomas Lavstsen, Sandeep K. Misra, Charlotte B. Spliid, Yong Wang, Tobias Gustavsson, Daniel R. Sandoval, Elena Ethel Vidal-Calvo, Swati Choudhary, Mette Ø Agerbaek, Kresten Lindorff-Larsen, Morten A. Nielsen, Thor G. Theander, Joshua S. Sharp, Thomas Mandel Clausen, Pontus Gourdon, Ali Salanti
Publicado 2021

Ensuring scientific reproducibility in bio-macromolecular modeling via extensive, automated benchmarks

por 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
Publicado 2021