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Jump to primary navigation. Jump to secondary navigation. Jump to main content. Information and Computer Sciences. Explore more than 80 majors and more than 70 minors. Learn about the programs offered and start envisioning your unique academic experience. For example, take courses in the arts as you major in biological sciences. Interdisciplinary study is highly encouraged across programs. Information and Computer Sciences. Aerospace Engineering, B.S. Aerospace Engineering, B.S. Among the topics explored...
mobleylab.org
Mobley Lab News - Pharmaceutical Sciences - University of California, Irvine
http://www.mobleylab.org/news.html
Welcome to Caitlin Bannan, Sam Gill, and Hanh Nguyen, new graduate students in the group. Alumni Nathan Lim has also returned for graduate school after a summer internship with Schrodinger in New York. We're also delighted that Gaetano Calabro will be joining the group this summer after finishing his graudate work with Julien Michel at the University of Edinburgh. 28(7):711-720 (2014). ( DOI. We recently developed new parameters for hydroxyls in GAFF, fixing a systematic error in the force field. See...
mobleylab.org
Mobley Lab Resources - Pharmaceutical Sciences - University of California, Irvine
http://www.mobleylab.org/resources.html
Resources: Lab Facilities, Useful Information, Etc. This page is still under construction.). Automatic setup of relative free energy calculations in GROMACS. An open tool implementing some recommended practices for analyzing alchemical free energy calculations. Adjusts topology files with GAFF to have GAFF-DC charges. Tools for Small Molecules, Antechamber, OpenMM, and More. Tools for setting up arbitrary (currently non-water) solute-solvent mixtures for simulation in GROMACS or AMBER formats. Lab facili...
mobleylab.org
Publications - Mobley Lab - Pharmaceutical Sciences - University of California, Irvine
http://www.mobleylab.org/publications.html
N M Lim, L. Wang, R. Abel, D. L. Mobley, "Sensitivity in binding free energies due to protein reorganization", in J. Chem. Theory. Comput. C C Bannan, G. Calabro, D. Y. Kyu, D. L. Mobley, "Calculating Partition Coefficients of Small Molecules in Octanol/Water and Cyclohexane/Water", in J. Chem. Theory. Comput. D L Mobley and D. M. Zuckerman, "A proposal for regularly updated review/survey articles: `Perpetual reviews'", white paper, (2015). ( arXiv. 29(11):1007-1014 (2015). ( DOI. A S Paluch, S. Para...
mobleylab.org
Mobley Lab - Pharmaceutical Sciences - University of California, Irvine
http://www.mobleylab.org/people.html
Dr David L. Mobley. The research group as of June 2016, consists of one postdoc (Dr. Gaetano Calabro), eight Ph.D. students (Nathan Lim, Camila Zanette, Guilherme Matos, Caitlin Bannan, Sam Gill, Hanh Nguyen, Victoria Lim, and Kalistyn Burley), and three undergraduates (Daisy Kyu, Nam Thi, and Linh Nguyen). Information on the individual group members and their projects can be found at right. The Mobley lab is located in 3110 Natural Sciences I on the main campus at UCI. Vivian Jaber, a former undergradua...
mobleylab.org
David Mobley - Pharmaceutical Sciences - University of California, Irvine
http://www.mobleylab.org/people/mobley.html
Group Members Dr. David L. Mobley. David L. Mobley. Departments of Pharmaceutical Sciences and Chemistry. University of California, Irvine. Irvine, CA 92617. Dr David L. Mobley. You may obtain a complete CV here. Which has more detail in these categories than you will find on this page. . See the CV or the Publications. Page for a list of publications. See also his Google Scholar Profile. For a list of citations and statistics. Page See also the CV above for a list of presentations.
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