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Open Access Publications from the University of California

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Pharmaceutical Sciences at UCI is an interdisciplinary science department focused on issues critical for the discovery and development of new drugs and therapies. Our faculty includes world-renowned scientists encompassing a variety of backgrounds with wide-ranging research programs that cover every facet of pharmaceutical research, while our undergraduate and graduate programs offer rigorous grounding in a broad range of disciplines critical to success as a pharmaceutical scientist in academia or industry.

Department of Pharmaceutical Sciences, UCI

There are 9 publications in this collection, published between 2013 and 2018.
Mobley Lab Datasets (9)

The BLUES Report: Towards fragment binding mode occupancies

This is a talk/status report given on our BLUES technique for estimating fragment binding mode occupancies; it was presented at the OpenEye CUP Meeting in Santa Fe, NM, March 8, 2018. This work is in the area of structure-based drug design and we are working on modeling techniques to efficiently estimate populations of metastable ligand binding modes. The presentation is made available in PowerPoint and Keynote formats and includes movies, so the files are large.

  • 1 supplemental ZIP
  • 1 supplemental file

Supporting files for "Is ring breaking feasible in relative binding free energy calculations?"

This provides electronic supporting materials, especially input files and trajectory files, associated with our work "Is ring breaking feasible in relative binding free energy calculations?" 

  • 1 supplemental file
6 more worksshow all