INVITED RESEARCH SEMINARS

RJ Doerksen “Applying computational medicinal chemistry for discovery of cannabinoid receptor ligands.” Department of Pharmaceutical Sciences, University of Arkansas for Medical Science, Little Rock, AR, Apr 19, 2019.

RJ Doerksen “Flexible natural product molecules: Accurate calculations to help determine their structure and properties.” Department of Biological Science and Technology, National Pingtung University of Science and Technology, Neipu, Taiwan, Jan 3, 2019.

RJ Doerksen “Introduction to the University of Mississippi (UM) Graduate School and UM food science research: Nutrition, dietary supplements, and natural products as sources of drugs for human health.” Department of Food Science, National Pingtung University of Science and Technology, Neipu, Taiwan, Jan 3, 2019.

RJ Doerksen “Challenges in the search for cannabinoid receptor ligands as CNS drugs.” Symposium on “New and Emerging Therapeutic Targets for CNS Drug Discovery” at the 74th American Chemical Society Southwest Regional Meeting, Little Rock, AR, Nov 7-10, 2018.

RJ Doerksen “Laws of physics applied to molecules: Accurate electronic structure calculations and molecular dynamics simulations” Department of Physics, University of Mississippi, Sep 4, 2018.

RJ Doerksen “Cannabinoid receptor ligands: Search for new drugs to help human health.” Drug Discovery and Development Colloquium 2018 (DDDC 2018), Lexington, KY, Jun 21-23, 2018. Featured Speaker.

RJ Doerksen “Docking of small molecules to the cannabinoid receptors: Finding value from big chemical datasets.” MidSouth Computational Biology and Bioinformatics Society (MCBIOS) 15th Annual Meeting in Starkville, MS, Mar 29-31, 2018. Session Featured Speaker.

RJ Doerksen “Computational medicinal chemistry: Connections to food science.” Department of Food Science & Biotechnology, National Chung Hsing University, Taichung, Taiwan, Jul 4, 2017.

RJ Doerksen “Molecular docking: Striving for quantitative accuracy in addition to qualitative accuracy.” Department of Chemistry, National Cheng Kung University, Tainan, Taiwan, Jun 21, 2017.

RJ Doerksen “Computational methods applicable to food chemistry: Molecular properties calculations and chemoinformatics.” Department of Food Science, National Pingtung University of Science and Technology, Neipu, Taiwan, Jun 16, 2017.

RJ Doerksen “Molecular docking: A method to aid discovery of the mechanism of action for natural products.” Department of Food Science, National Pingtung University of Science and Technology, Neipu, Taiwan, Jun 16, 2017.

RJ Doerksen “Search for cannabinoid receptor 1 antagonists as anti-obesity medicines.” Department of Food Science, National Pingtung University of Science and Technology, Neipu, Taiwan, Jun 16, 2017.

RJ Doerksen “Computational chemistry and computational biology approaches to discovery of novel cannabinoid receptor modulators.” Department of Biological Science and Technology, National Pingtung University of Science and Technology, Neipu, Taiwan, Jun 15, 2017.

RJ Doerksen “Computational medicinal chemistry approaches to discovery of novel cannabinoid receptor ligands.” Department of Chemistry and Biochemistry, Jackson State University, Jackson, MS, Feb 3, 2017.

RJ Doerksen “Chemoinformatics and molecular dynamics approaches to discovery of novel cannabinoid receptor ligands.” Department of Chemical Engineering, University of Mississippi, Oct 19, 2016.

RJ Doerksen “Molecular docking: Striving for qualitative and quantitative accuracy.” Department of Chemistry, University of the Sciences, Philadephia, PA, Mar 21, 2016.

RJ Doerksen “Chemoinformatics approaches to discovery of drugs targeted to the cannabinoid receptors.” MidSouth Computational Biology and Bioinformatics Society (MCBIOS) Annual Meeting in Little Rock, AR in Mar 6-7, 2015.

RJ Doerksen “Computational approaches to cannabinoid receptor drug hit discovery.” 26th Canadian Symposium on Theoretical and Computational Chemistry, Montreal, Canada, Jul. 6-11, 2014.

RJ Doerksen “Computational approaches to bioactive natural products: Conformation, configuration assignment, and drug hit discovery.” National Chung Hsing University, Department of Food Science and Biotechnology, Taichung, Taiwan, Friday, May 9, 2014.

RJ Doerksen “Computational approaches to find cannabinoid receptor modulators which can function as anti-obesity medicines.” Chung Shan Medical University, Department of Nutrition, Taichung, Taiwan, Friday, May 9, 2014.

RJ Doerksen “Computational approaches to bioactive marine natural products: Conformation, configuration assignment, and drug hit discovery.” National Kaohsiung Marine University, Department of Seafood Science, Kaohsiung, Taiwan, Wednesday, Apr 30, 2014.

RJ Doerksen “Computational approaches to marine natural products: Conformation, configuration assignment, and drug hit discovery.” National Museum of Marine Biology and Aquarium, Checheng, Pingtung, Taiwan, Monday, Apr 7, 2014.

RJ Doerksen “Computational approaches to bioactive natural products: Search for drugs that act on the cannabinoid receptors.” Tunghai University, Food Science Department, Taichung, Taiwan, Friday, Mar 14, 2014.

RJ Doerksen “Computational approaches to bioactive natural products: Search for cannabinoid-active anti-obesity medicines.” Hungkuang University, Department of Food Science and Technology, Taichung, Taiwan, Presented as part of “International Research Conference on Discovery and Applications of Bioactive Natural Products.” Friday, Mar 7, 2014.

RJ Doerksen “Computational approaches to bioactive natural products.” Department of Biological Science and Technology, National Pingtung University of Science and Technology, Neipu, Taiwan, Dec 27, 2013.
RJ Doerksen “Cannabinoid receptor modulator design: Ligand-based and protein structure-based approaches.” Department of Chemistry, Georgia State University, Atlanta, GA, Nov 8, 2013.

RJ Doerksen “Rational design of glycogen synthase kinase-3 inhibitors for the control of neuroinflammation and cerebral infections.” The University of Mississippi Medical Center, Department of Neurobiology & Anatomical Sciences, Department of Psychiatry and Human Behavior and the Center for Psychiatric Neuroscience Seminar Series, Oct 29, 2013.

RJ Doerksen “Targeting glycogen synthase kinase-3 using a computational approach.” School of Pharmacy Central Nervous System Brown Bag Lunch, Aug 15, 2013.

RJ Doerksen “Designer drugs through computational methods.” The World Malaria Day: The Multidirectional Discovery Approach to Fight against Malaria. University of Mississippi, University, MS, Apr 24, 2013.

RJ Doerksen “Rational approaches to discovery of novel glycogen synthase kinase-3 inhibitors.” SWRM 2012 Southwest Regional American Chemical Society (ACS) Meeting “Chemical and Structural Biology: New Frontiers in Therapeutic Development” Symposium, Baton Rouge, LA, Nov 4-7, 2012.

DA Kevin; S Prasanna; OR Dale; SP Manly; SJ Cutler; RJ Doerksen “Plant-derived human GSK-3beta inhibitors.” 3rd Annual Conference American Council for Medicinally Active Plants (ACMAP), Jonesboro, AR, May 2012

P Prather; A Radominska-Pandya; F Medina-Bolivar; RJ Doerksen “Natural prenylated and synthetic resveratrol analogs as novel ligands for cannabinoid receptors.” 3rd Annual Conference American Council for Medicinally Active Plants (ACMAP), Jonesboro, AR, May 2012.

RJ Doerksen “Using computation and simulation to study complex nanoscale processes: Protein kinases and related topics.” Mississippi NSF EPSCoR Annual Meeting, Oxford, MS, Apr 11, 2012.

RJ Doerksen “Modeling protein ligand interactions and protein domain interactions with the combined force of compbio and compchem.” Mississippi NSF EPSCoR Research Meeting, Oxford, MS, Sep 20, 2011.

RJ Doerksen “Combined computational chemistry and computational biology modeling for understanding protein-protein and protein-ligand interactions.” Mississippi NSF EPSCoR Annual Meeting, Starkville, MS, Apr 15, 2011.

H Liu; RJ Doerksen “Using computational approaches to understand the methemoglobinemia caused by 8-aminoquinolines.” Department of Defense USAMRMC Research Project Annual Meeting. “Development of Safer Antimalarial and Antileishmanial Drugs for US Troops and Travelers.” Oxford, MS, Mar 18, 2011.

RJ Doerksen “Computational approaches to aid natural product discovery and development.” Department of Pharmacognosy, University of Mississippi, University, MS, Feb 22, 2011.

RJ Doerksen “Computational studies on protein kinase–inhibitor interactions.” 2010 EPSCoR Research Fall Forum, University of Mississippi Medical Center, Jackson, MS, Sep 20, 2010.

RJ Doerksen “Quantum mechanical calculations on protein chemistry: Applications to hemoglobin and biliverdin reductase.” Academia Sinica, Institute of Chemistry, Taipei, Taiwan, Jun 21, 2010.

RJ Doerksen “Computational studies on protein kinase-inhibitor interactions.” Department of Chemistry, National Dong Hwa University, Hualien, Taiwan, Jun 18, 2010.

RJ Doerksen “Computational studies on protein kinase-inhibitor interactions.” Academia Sinica, Institute of Atomic and Molecular Sciences, Taipei, Taiwan, Jun 8, 2010.

RJ Doerksen; H Liu; NPD Nanayakkara; LA Walker “DFT study on the methemoglobinemia caused by 8-aminoquinoline drugs.” Department of Defense USAMRMC Research Project Annual Meeting. “Development of Safer Antimalarial and Antileishmanial Drugs for US Troops and Travelers.” Apr 23, 2010.

RJ Doerksen “Computational studies for rational design of GSK-3 and CDK5 inhibitors.” 2nd Annual Meeting of the Mississippi Biophysical Consortium (MBC 2009), Mississippi State University, Starkville, MS, May 2009.

RJ Doerksen “Rational computer-aided drug design for glycogen synthase kinase-3 inhibition.” American Association of Colleges of Pharmacy Annual Meeting, Chemistry Section, Chicago, IL, Jul 2008.

RJ Doerksen “Computational medicinal chemistry approaches for understanding protein-ligand interactions.” National Changhua Education University, Department of Chemistry, Changhua, Taiwan, Jun 23, 2008.

RJ Doerksen “Novel peptidomimetic antimicrobial oligomers: Insights from computational modeling.” National Taiwan University, School of Pharmacy, Taipei, Taiwan, Jan 19, 2006.

RJ Doerksen “Computational studies towards controlling the conformation of oligomers: Innovative functional backbones.” Academia Sinica, Institute of Chemistry, Taipei, Taiwan, Jan 18, 2006.

RJ Doerksen “Novel internally hydrogen bonded peptidomimetic antimicrobials: Insights from computational modeling.” Mississippi State University, Department of Chemistry, Starkville, MS, Oct 21, 2005.

RJ Doerksen “Controlling the conformation of novel arylamide and other nontoxic antimicrobial oligomers.” University of Mississippi, Department of Chemistry and Biochemistry, University, MS, Oct 7, 2004.

RJ Doerksen “A composite computational approach for design of nontoxic antimicrobial oligomers.” University of Montreal, Department of Chemistry, Montreal, QB, Canada, Mar 2, 2004.

RJ Doerksen “A composite computational approach for design of nontoxic antimicrobial oligomers.” University of Missouri, St. Louis, Department of Chemistry and Biochemistry, St. Louis, MO, Feb 16, 2004.

RJ Doerksen “A composite computational approach for design of nontoxic antimicrobial oligomers.” Yeshiva University, Albert Einstein College of Medicine, Department of Physiology and Biophysics, Bronx, NY, Jan 29, 2004.

RJ Doerksen “A composite computational approach for design of nontoxic antimicrobial oligomers.” University of Mississippi, School of Pharmacy, Department of Medicinal Chemistry, University, MS, Jan 26, 2004.

RJ Doerksen “A composite computational approach for design of nontoxic antimicrobial oligomers.” Illinois Institute of Technology, Department of Biological, Chemical, and Physical Sciences, Chicago, IL, Jan 21, 2004.

RJ Doerksen “A composite computational approach for design of nontoxic antimicrobial oligomers.” University of Cincinnati, Department of Chemistry, Cincinnati, OH, Jan 13, 2004.

RJ Doerksen “A composite computational approach for design of nontoxic antimicrobial oligomers.” Virginia Commonwealth University, Department of Chemistry, Richmond, VA, Dec 15, 2003.

RJ Doerksen “Computational modeling of antimicrobials.” Colgate-Palmolive, Piscataway, NJ, Nov 20, 2003.

RJ Doerksen “Accurate density‑functional theory torsional potentials for de novo amphiphilic antimicrobial peptide design.” Taiwan National Health Research Institutes, Division of Biotechnology and Pharmaceutical Research, Taipei, Taiwan, Mar 21, 2002.

RJ Doerksen “Theoretical insight into the reaction of C + C₂H₂ from ab initio molecular dynamics trajectories and transition state structures.” Sandia National Laboratory, Livermore, CA, Jan 2001.

RJ Doerksen “Theoretical insight into the reaction of C(³P) + C₂H₂.” University of Arizona, Department of Chemistry, Tucson, AZ, Jan 2001.

RJ Doerksen “Theoretical insight into the reaction of C(³P_j) with acetylene.” National Changhua Education University, Department of Chemistry, Changhua, Taiwan, Feb 2000.

Invited Teaching Presentations

* RJ Doerksen “An introduction to computational medicinal chemistry.” Mississippi PChem/REU Summer Program, University, MS, Jul 2018.

* RJ Doerksen “Docking of small molecules to proteins: A method for rational drug discovery.” STEMS-REU Summer Program, University, MS, Jul 2018.

* RJ Doerksen “Computational medicinal chemistry.” 4th Virtual Winter School of Computational Chemistry, 1/31-2/2/2018.

* RJ Doerksen “An Introduction to Computational Medicinal Chemistry.” Mississippi PChem/REU Summer Program, University, MS, Jul. 2016.

* RJ Doerksen “An Introduction to Computational Medicinal Chemistry.” Mississippi PChem/REU Summer Program, University, MS, Jun. 2015.

* RJ Doerksen “An Introduction to Computational Medicinal Chemistry.” Mississippi PChem/REU Summer Program, University, MS, Jul. 2014.

* RJ Doerksen “An Introduction to Computational Medicinal Chemistry.” Mississippi PChem/REU Summer Program, University, MS, Jun. 2013.

* RJ Doerksen “Computational Medicinal Chemistry Approaches for Understanding Protein-Ligand Interactions.” Rust College, Holly Springs, MS, March 4, 2009.

* RJ Doerksen “Computational Medicinal Chemistry Approaches for Understanding Protein-Ligand Interactions.” Rust College, Holly Springs, MS, October 22, 2008.

* RJ Doerksen “Teaching Computational Medicinal Chemistry Using Modern MCSR Supercomputers.” Mississippi Center for Supercomputing Research (MCSR) Research Symposium, University, MS, September 6-7, 2007.

OTHER TALKS

RJ Doerksen Computational Medicinal Chemistry: Applications to Neuroscience. 1st University of Mississippi Neuroscience Research Showcase, Apr. 2015. Oral presentation.

RJ Doerksen 179 Seconds of Computational Medicinal Chemistry. University of Mississippi Research Day, Apr. 2015. Oral presentation.

RJ Doerksen “Computational approaches for discovery of novel cannabinoid receptor modulators.” Department of Medicinal Chemistry Seminar Series, University of Mississippi, University, MS, Nov 2013.

RJ Doerksen “Ligand-based and protein-structure based approaches to new cannabinoid receptor modulators.” Institute for Computational Molecular Science, Department of Chemistry, Temple University, Philadelphia, PA, Aug 2013.

RJ Doerksen “Project 4: Rational design and testing of novel cannabinoid ligands.” NIH COBRE CORE-NPN Annual Meeting, University of Mississippi, University, MS, May 2013.

V Gadepalli; P Pandey; I Muhammad; RJ Doerksen “Docking of Leonotis leonurus and Leonurus cardiaca derived compounds to cannabinoid receptors.” 2013 UM COBRE Summer Undergraduate Research Fellows Reports, Jul 2013.