CURRENT RESEARCH FUNDING

National Institutes of Health. National Institute of General Medical Sciences. P30. (Multi-PIs: Dr. Joshua Sharp, Division of Pharmacology and Dr. Samir Ross, National Center for Natural Products Research and Division of Pharmacognosy). “GlyCORE: Glycoscience Center of Research Excellence.” 5/15/2020-3/31/2025. (Doerksen is PI of the Computational Chemistry and Bioinformatics Research Center of Biomedical Research Excellence.)

National Institutes of Health. R21. “Target-based chemotherapeutics development against Mycobacterium tuberculosis.” Robert J. Doerksen, Co-Investigator. (PI: Dr. Sudeshna Roy, Division of Medicinal Chemistry). 7/1/2019-6/30/2021.

National Science Foundation. XSEDE (Extreme Science and Engineering Discovery Environment) Startup request. “Molecular dynamics simulations to understand the conformational changes of the CB1–THC–CBD–5-HT2A heteromer: Molecular mechanism of CBD binding.” CHE190092. 10/23/2019-10/22/2020. Robert J. Doerksen, Co-Investigator (Dr. Amar Chittaboyina, PI).

National Science Foundation. XSEDE (Extreme Science and Engineering Discovery Environment) Startup request. “Extended all-atom molecular dynamics simulations to understand the conformational changes of MraYMtb and its binding interactions with small molecule inhibitors.” CHE190093. 10/23/2019-10/22/2020. Robert J. Doerksen, Co-Investigator (Dr. Sudeshna Roy, PI).

National Science Foundation. Research Experience for Undergraduates (REU). “Ole Miss Physical Chemistry Summer Research Program REU.” CHE-1757888. (Second Renewal) 9/1/2018-8/31/2021. Robert J. Doerksen, Senior Personnel. (PI: Dr. Nathan Hammer, Department of Chemistry, University of Mississippi.)

PAST RESEARCH FUNDING

National Institutes of Health. National Institute of General Medical Sciences Award Number P30GM122733. (PI: Dr. Soumyajit Majumdar) Center of Biomedical Research Excellence – Natural Products Neuroscience (COBRE-NPN) Voucher Program Award, ” Assays to aid in the discovery of novel CB1 antagonists void of adverse neuropsychiatric effects.” Robert J. Doerksen, Principal Investigator. 3/10/2020-5/31/2020.

National Institutes of Health. National Institute of General Medical Sciences. Award Number P30GM122733. (PI: Dr. Soumyajit Majumdar.) Center of Biomedical Research Excellence – Natural Products Neuroscience (COBRE-NPN) Voucher Program Award. “Computer-aided discovery of CB1 antagonists void of adverse neuropsychiatric effects.” Robert J. Doerksen, Principal Investigator. 3/5/2019-5/31/2019.

National Science Foundation. XSEDE (Extreme Science and Engineering Discovery Environment) Startup request. “Extended all-atom molecular dynamics simulations to shed light on the characteristic features from inactive- to active-state transition of the human CB2 receptor, energetically preferred binding pose recognition, and agonist-induced conformational changes during receptor activation.” MCB190035. 4/15/2019-4/14/2020. Robert J. Doerksen, Co-Investigator (Pankaj Pandey, PI).

National Science Foundation. XSEDE (Extreme Science and Engineering Discovery Environment) Startup request. “Computational modeling and dynamics studies of negative allosteric modulators within the orthosteric ligand–bound complexes of the human cannabinoid 1 (CB1) receptor.” MCB190033. 4/3/2019-4/2/2020. Robert J. Doerksen, Principal Investigator.

National Institutes of Health. R15. “Computer-aided Design and In vitro Testing of Novel Cannabinoid Receptor Modulators.” 5/1/2016-4/30/2020. (No cost extension awarded for one additional year.) Robert J. Doerksen, Principal Investigator.

MAD-ID (Make a Difference-Infectious Disease) Antimicrobial Stewardship Research Grant “Strategies to Optimize Clostridium difficile Classification and Treatment.” 7/2017-6/2019. (No cost extension awarded for one additional year.) Robert J. Doerksen, Co-Investigator. (PI: Jamie Wagner, Dept. of Pharmacy Practice, University of Mississippi).

National Science Foundation. Research Experience for Undergraduates (REU). “Ole Miss Physical Chemistry Summer Research Program REU.” CHE-1460568. (Renewal) 9/1/2015-8/31/2018. Robert J. Doerksen, Senior Personnel. (PI: Dr. Nathan Hammer, Department of Chemistry, University of Mississippi.)

National Science Foundation. “MRI: A GPU Cluster for Computational Science in Mississippi.” Award #1338056. 9/15/2013-8/31/2016. Robert J. Doerksen, Co-Investigator. (PI: Dr. Greg Tschumper, University of Mississippi.) No-cost extension to 8/2017.

University of Mississippi’s National Institutes of Health (NIH) National Center for Research Resources (NCRR) Center of Research Excellence in Natural Products Neuroscience (CORE-NPN) Phase II. “CORE-NPN: Rational Design of Novel Natural Product-Derived Cannabinoid Ligands.” P20GM104932. 7/1/2012-6/30/2017. Robert J. Doerksen, Junior Investigator. (PI: Dr. Stephen J. Cutler, University of Mississippi.)

National Science Foundation. Mississippi EPSCoR Program. Targeted Seed Grant. “Combined Computational Chemistry and Computational Biology Modeling for Understanding Protein-Protein and Protein-Ligand Interactions. Extension.” 8/1/2015-7/31/2016. Robert J. Doerksen, Principal Investigator.

National Science Foundation. Mississippi EPSCoR Program “Modeling and Simulation of Complex Systems.” NSF EPS 0903787 and NSF EPS 1006883. 8/2009-8/2016. Robert J. Doerksen, Co-Investigator. (PI: Dr. Sandra Harpole, Mississippi State University.)

National Science Foundation. Research Experience for Undergraduates (REU). “Ole Miss Physical Chemistry Summer Research Program REU.” CHE-1156713. 9/1/2012-8/31/2015. Robert J. Doerksen, Senior Personnel. (PI: Dr. Nathan Hammer, Department of Chemistry, University of Mississippi.)

Extreme Science and Engineering Discovery Environment (XSEDE) grant of supercomputer time, MCB140248 “Computational insights into the characteristic features of the active state 3D structure of the human CB2 receptor, mode of agonist recognition and agonist-induced conformational changes during receptor activation.” PI: Kuldeep K. Roy; Co-PI: Doerksen. Awarded Sep 2014.

USAID (American Council on Education/US Agency for International Development). “Africa-U.S. Network of Centers of Excellence in Water & Environmental Science & Technology.” 8/1/2014-6/30/2015. Robert J. Doerksen, Co-Investigator. (PI: Dr. Nosa Egiebor, University of Mississippi.)

National Institutes of Health. “New Drugs for Opportunistic Infectious Diseases.” NIAID, 2R0AI27094-20A1, 7/2009-6/2014, PI: Alice M. Clark; Co-PI: Ameeta K. Agarwal. Doerksen group received funding from this grant from 9/2013-12/2013.

National Science Foundation. Mississippi EPSCoR Program. Year 4 Seed Grant. “Computational modeling-aided design, synthesis and optimization of redox-sensitive polymer nanoparticles with optimal colloid-forming and DT-diaphorase-substrate properties.” 9/1/2012-8/31/2013. Robert J. Doerksen, Co-Investigator. (PI: Dr. Seongbong Jo, University of Mississippi.)

Department of Defense USAMRMC. “Development of Safer Antimalarial and Antileishmanial Drugs for US Troops and Travelers.” 9/2009-12/2012. Robert J. Doerksen, Investigator. (PI: Dr. Larry Walker, University of Mississippi.)

National Science Foundation. Mississippi EPSCoR Program. Year 3 Seed Grant. “Computational modeling-aided design, synthesis and evaluation of redox-sensitive polymer nanoparticles for cancer targeted drug delivery.” 9/1/2011-8/31/2012. Robert J. Doerksen, Co-Investigator. (PI: Dr. Seongbong Jo, University of Mississippi.)

University of Mississippi’s National Institutes of Health (NIH) National Center for Research Resources (NCRR) Center of Research Excellence in Natural Products Neuroscience (CORE-NPN) Junior Investigator Program. “CORE-NPN: Rational Design of Novel Natural Product-Derived Cannabinoid Ligands.” 7/1/2009-6/30/2011. Robert J. Doerksen, Principal Investigator. (PI: Dr. Stephen J. Cutler, University of Mississippi.)

National Science Foundation. Mississippi EPSCoR Program. Targeted Seed Grant. “Combined Computational Chemistry and Computational Biology Modeling for Understanding Protein-Protein and Protein-Ligand Interactions.” 1/1/2011-12/31/2011. Robert J. Doerksen, Principal Investigator.

National Science Foundation. Mississippi EPSCoR Program. Bridge Funding (between programs). “Innovations through Computational Sciences.” EPS-0556308. 8/2009-10/31/2009. Robert J. Doerksen, Investigator. (Original Funding dates: 5/1/2006-4/30/2009.) (Dr. Sandra Harpole, PI, Mississippi State University.)

American Association of Colleges of Pharmacy 2007-2008 New Investigators Program for Pharmacy Faculty. “Rational computer-aided drug design for glycogen synthase kinase-3 inhibition.” 12/15/2007-6/31/2008. Robert J. Doerksen (Principal Investigator).

University of Mississippi’s National Institutes of Health (NIH) National Center for Research Resources (NCRR) Center of Research Excellence in Natural Products Neuroscience (CORE-NPN) Small Grants Program. “Computational studies on manzamine inhibition of GSK-3beta and CDK5 for treatment of neuroinflammation.” 7/1/2007-6/30/2009. Robert J. Doerksen (PI).

Centers for Disease Control and Prevention (CDC) National Center for Zoonotic, Vector-Borne, and Enteric Diseases (NCZVED). “Development and Testing of New Antimalarial Drugs.” 8/1/2004-7/31/2009. Robert J. Doerksen, Investigator. (Dr. Mitchell Avery, PI, University of Mississippi.)

Centers for Disease Control and Prevention (CDC) National Center for Zoonotic, Vector-Borne, and Enteric Diseases (NCZVED). “Rational Design of Novel Drugs for the Treatment of Emerging Infectious Diseases.” 9/15/2005-9/14/2006; 9/30/2006-9/29/2007. Robert J. Doerksen, Investigator. (Dr. Mitchell Avery, PI, University of Mississippi.)

National Science Foundation. Mississippi EPSCoR Program. “Innovations through Computational Sciences.” EPS-0556308. 5/1/2006-4/30/2009. Robert J. Doerksen, Investigator. (Dr. Sandra Harpole, PI, Mississippi State University).

National Science Foundation. Mississippi EPSCoR Program. “Innovations through Computational Sciences.” EPS-0556308. 5/1/2006-4/30/2009. Robert J. Doerksen, Investigator. (Dr. Sandra Harpole, PI, Mississippi State University). Education & Outreach funding from 5/2008-8/2009 (administered at U. Mississippi by Dr. Peter Sukanek from Dept. of Chemical Engineering) provided support for several key personnel in the Doerksen research group.

National Science Foundation – Division of Graduate Education (DGE), Integrative Graduate Education and Research Traineeship (IGERT); DGE 0333136. “Entrepreneurial Research and Education at the Interface of Polymers and Medicinal Chemistry.” Robert J. Doerksen, Investigator. (Dr. Lon J. Mathias, PI). 8/1/2004-9/31/2008. Cost-shared (no direct funds).

University of Mississippi Ole Miss Partners Program Grant. “Uninterruptible Power Supplies for Continuous, Safe Operation of Research Computers.” 12/2006-6/2007. Robert J. Doerksen (PI).

University of Mississippi Ole Miss Associates – Partners Program Grant. “Network-accessible computer storage device for computationally-intensive medicinal chemistry research.” 1/2006-6/30/2006. Robert J. Doerksen (PI).

University of Mississippi Office of Research and Sponsored Programs. “Major Computer Purchase Assistance.” 1/3/2006-6/30/2006. Robert J. Doerksen (PI).

University of Mississippi Faculty Research Program. “Ab initio Car-Parrinello QM/MM molecular dynamics study of the active site and catalytic functioning of biliverdin reductase.” 1/1/2005-1/1/2006. Robert J. Doerksen (PI).

University of Mississippi Ole Miss Partners Program Grant. “Compiler for New Linux Computer Cluster.” 11/2004-11/2005. Robert J. Doerksen (PI).