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qFit-ligand reveals widespread conformational heterogeneity of drug-like molecules in X-ray electron density maps
Gydo C.P. van Zundert, View ORCID ProfileBrandi M. Hudson, View ORCID ProfileDaniel A. Keedy, View ORCID ProfileRasmus Fonseca, Amelie Heliou, Pooja Suresh, Kenneth Borrelli, View ORCID ProfileTyler Day, View ORCID ProfileJames S. Fraser, View ORCID ProfileHenry van den Bedem
doi: https://doi.org/10.1101/253419
Gydo C.P. van Zundert
1Schrödinger, New York, NY 10036, USA
Brandi M. Hudson
2Department of Bioengineering and Therapeutic Sciences, UCSF, San Francisco, CA 94158, USA
Daniel A. Keedy
2Department of Bioengineering and Therapeutic Sciences, UCSF, San Francisco, CA 94158, USA
Rasmus Fonseca
3Department of Molecular and Cellular Physiology, Stanford University, Stanford, CA 94305, USA.
Amelie Heliou
4LIX, Ecole Polytechnique, CNRS, INRIA, Université Paris-Saclay, 91128, Palaiseau, France.
Pooja Suresh
2Department of Bioengineering and Therapeutic Sciences, UCSF, San Francisco, CA 94158, USA
Kenneth Borrelli
1Schrödinger, New York, NY 10036, USA
Tyler Day
1Schrödinger, New York, NY 10036, USA
James S. Fraser
2Department of Bioengineering and Therapeutic Sciences, UCSF, San Francisco, CA 94158, USA
Henry van den Bedem
5SLAC National Accelerator Laboratory, Stanford University, Menlo Park, CA 94025 USA

Copyright
The copyright holder for this preprint is the author/funder, who has granted bioRxiv a license to display the preprint in perpetuity. It is made available under a CC-BY-ND 4.0 International license.
Posted January 25, 2018.
qFit-ligand reveals widespread conformational heterogeneity of drug-like molecules in X-ray electron density maps
Gydo C.P. van Zundert, Brandi M. Hudson, Daniel A. Keedy, Rasmus Fonseca, Amelie Heliou, Pooja Suresh, Kenneth Borrelli, Tyler Day, James S. Fraser, Henry van den Bedem
bioRxiv 253419; doi: https://doi.org/10.1101/253419
qFit-ligand reveals widespread conformational heterogeneity of drug-like molecules in X-ray electron density maps
Gydo C.P. van Zundert, Brandi M. Hudson, Daniel A. Keedy, Rasmus Fonseca, Amelie Heliou, Pooja Suresh, Kenneth Borrelli, Tyler Day, James S. Fraser, Henry van den Bedem
bioRxiv 253419; doi: https://doi.org/10.1101/253419
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