Robert J. Doerksen

University of Mississippi — United States

Computer Science · Physical Sciences

34h-index7.2kcitations149works1.62yr avg
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Research Topics

Computational Drug Discovery Methods(24), Cannabis and Cannabinoid Research(12), Carbohydrate Chemistry and Synthesis(11), Chemical Synthesis and Analysis(10), Microbial Natural Products and Biosynthesis(9)

Publications149 total

PA14 domain of glycosyltransferase B4GALNT3 is a lectin that binds to sulfated glycan ligands
Journal of Biological Chemistry·2026Open Access
Comprehensive Evaluation of Human and Murine Protein Coronae Formed on Choline Carboxylic Acid Ionic Liquid-Modified PLGA Nanoparticles
Bioconjugate Chemistry·2025
1,2,4-Triazole-Based First-in-Class Non-Nucleoside Inhibitors of the Bacterial Enzyme MraY
ACS Bio & Med Chem Au·2025· 1 citedOpen Access
Glyco Ionic Liquids as Novel Nanoparticle Coatings to Enhance Triple‐Negative Breast Cancer Drug Delivery
Advanced Healthcare Materials·2025· 3 citedOpen Access
Heparan-6-<i>O</i>-endosulfatase 2, a cancer-related proteoglycan enzyme, is effectively inhibited by a specific sea cucumber fucosylated glycosaminoglycan
Glycobiology·2025· 2 cited
Prediction and assessment of energetically-favored binding orientation of cannabidiol at hNav1.1 channel using all-atom molecular dynamics simulations
Journal of Biomolecular Structure and Dynamics·2025
1,2,4-Triazole-based first-in-class non-nucleoside inhibitors of bacterial enzyme MraY
2025Open Access
Determination of the Negative Allosteric Binding Site of Cannabidiol at the CB1 Receptor: A Combined Computational and Site-Directed Mutagenesis Study
ACS Chemical Neuroscience·2025· 3 cited
Cannabinoid-Inspired Inhibitors of the SARS-CoV-2 Coronavirus 2′-O-Methyltransferase (2′-O-MTase) Non-Structural Protein (Nsp10–16)
Molecules·2024Open Access
Applying Molecular Modeling to Predict Novel FmlH-Binding Glycomimetics with Improved Pharmacokinetic Properties for the Prevention of Urinary Tract Infections
Applied Sciences·2024· 4 citedOpen Access
Self-regulation of MGAT4A and MGAT4B activity toward glycoproteins through interaction of lectin domain with their own N-glycans
iScience·2024· 5 citedOpen Access
Application of Molecular Modeling and Machine Learning Models to Predict Novel FmlH-Binding Glycomimetics with Improved Pharmacokinetic Properties for the Prevention of Urinary Tract Infections
Preprints.org·2024Open Access
Editorial: Big data and artificial intelligence for genomics and therapeutics – Proceedings of the 19th Annual Meeting of the MidSouth Computational Biology and Bioinformatics Society (MCBIOS)
Frontiers in Bioinformatics·2024Open Access
Identifying p56lck SH2 Domain Inhibitors Using Molecular Docking and In Silico Scaffold Hopping
Applied Sciences·2024· 4 citedOpen Access
Exploring the viral protease inhibitor space driven by consensus scoring-based virtual screening
In Silico Pharmacology·2023· 1 citedOpen Access
Discovery, Synthesis, and Optimization of 1,2,4-Triazolyl Pyridines Targeting <i>Mycobacterium tuberculosis</i>
ACS Infectious Diseases·2023· 10 citedOpen Access
Influence of structural characteristics on the binding of synthetic cannabinoids from the JWH family to the CB1 receptor: A computational study
Journal of Molecular Graphics and Modelling·2023· 9 citedOpen Access
Docking and Molecular Dynamics Simulations Clarify Binding Sites for Interactions of Novel Marine Sulfated Glycans with SARS-CoV-2 Spike Glycoprotein
Molecules·2023· 7 citedOpen Access
Identifying FmlH lectin-binding small molecules for the prevention of Escherichia coli-induced urinary tract infections using hybrid fragment-based design and molecular docking
Computers in Biology and Medicine·2023· 11 citedOpen Access
Novel topical anandamide formulation for alleviating peripheral neuropathic pain
International Journal of Pharmaceutics·2023· 8 cited
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Frequent Co-authors

Pankaj Pandey(8), Mark T. Hamann(7), Pankaj Daga(7), Prasanna Sivaprakasam(6), Michael L. Klein(6), Kuldeep K. Roy(5), Ajit J. Thakkar(5), Gregory N. Tew(4), Dahui Liu(4), William F. DeGrado(4), Khaled M. Elokely(4), Ronak Y. Patel(4), Jeffrey D. Winkler(3), Srinivas Odde(3), Melissa R. Jacob(3), Aihua Xie(3), Gang Fu(3), Yixin Chen(3), Sungwook Choi(2), Bin Chen(2)