This is a list of peer-reviewed publications from the various stages of my career.

They can be tracked using my ORCID:

Invited and conference presentations are listed on another page.


P Pandey; RJ Doerksen “New drugs from natural products around the world,” Pharmaceutical Sciences, 22, 215-216 (2016). Invited editorial. doi: 10.15171/PS.2016.34

JOURNAL ARTICLES (>70, including >50 from work at the University of Mississippi)

(Citations are listed, for articles that contribute to my h-index of 22, according to Google Scholar)

MF Sowaileh; AE Salyer; KK Roy; JP John; JR Woods; RJ Doerksen; GH Hockerman; DA Colby “Agonists of the γ-aminobutyric acid type B (GABAB) receptor derived from b-hydroxy and b-amino difluoromethyl ketones,” accepted to Bioorganic and Medicinal Chemistry Letters (4/2018).

J Liu; P Pandey; X Wang; X-Z Qi; J-B Chen; H Sun; P-C Zhang; Y Ding; X Qi; P Zhang; D Ferreira; RJ Doerksen; MT Hamann; S Li “Hepatoprotective dibenzocyclooctadiene and tetrahydrobenzocyclooctabenzofuranone lignans from Kadsura longipedunculata,” accepted to Journal of Natural Products (3/2018).

GC Brandão; FCR Missias; LM Arantes; LF Soares; KK Roy; RJ Doerksen; A Braga de Oliveira; GR Pereira “Antimalarial naphthoquinones. Synthesis via click chemistry, in vitro activity, docking to PfDHODH and SAR of lapachol-based compounds,” European Journal of Medicinal Chemistry, 145, 191-205 (2018). doi: 10.1016/j.ejmech.2017.12.051 PMID: 29324340

Cover image European Journal of Medicinal Chemistry

J Pressly; SM Mustafe; A Sahar; P Pandey; KK Roy; RJ Doerksen; BM Moore; F Park “Selective cannabinoid 2 receptor stimulation reduces tubular epithelial cell damage following renal ischemia-reperfusion injury,” Journal of Pharmacology and Experimental Therapeutics, 364, 287-299 (2018). doi: 10.1124/jpet.117.245522 PMID: 29187590 PMCID: PMC5774215.

Journal of Pharmacology and Experimental Therapeutics: 364 (1)

X Wang; J Liu; P Pandey; J Chen; FR Fronczek; S Parnham; X Qi; RJ Doerksen; D Ferreira; H Sun; S Li; MT Hamann “Assignment of the absolute configuration of hepatoprotective highly oxygenated triterpenoids using X-ray, ECD, NMR J-based configurational analysis and HSQC overlay experiments,” BBA (Biochimica et Biophysica Acta) General Subjects, 1861, 3089-3095 (2017). doi: 10.1016/j.bbagen.2017.09.001

J Oh; H Liu; HB Park; D Ferreira; G-S Jeong; MT Hamann; RJ Doerksen; MK Na “In silico investigation of lavandulyl flavonoids for the 2 development of potent FAS-inhibitory prototypes,” BBA (Biochimica et Biophysica Acta) General Subjects, 1861, 3180-3188 (2017). doi: 10.1016/j.bbagen.2016.08.001

Y Ding; H Liu; BL Tekwani; NPD Nanayakkara; IA Khan; LA Walker; RJ Doerksen “Methemoglobinemia hemotoxicity of some antimalarial 8-aminoquinoline analogues and their hydroxylated derivatives: Density functional theory computation of ionization potentials,” Chemical Research in Toxicology, 29, 1132-1141 (2016). (Published online, 5/25/2016) doi: 10.1021/acs.chemrestox.6b00063

Abstract Image  Chemical Research in Toxicology

NN Mohammed; P Pandey; KM Elokely; HL Liu; RJ Doerksen; MA Repka “Clotrimazole-cyclodextrin based approach for the management and treatment of Candidiasis. A formulation and chemistry based evaluation,” Pharmaceutical Development and Technology, 21, 619-629 (2016). doi: 10.3109/10837450.2015.1041041

Publication Cover

AD Priyanto; RJ Doerksen; C-I Chang; Y-C Lin; T-C Wang; SB Widjanarko; J Kusnadi; J-L Hsu “Screening, discovery, and characterization of angiotensin-I converting enzyme inhibitory peptides derived from proteolytic hydrolysate of bitter melon seed proteins,” Journal of Proteomics, 128, 424-435 (2015). doi: 10.1016/j.jprot.2015.08.018

               Image for unlabelled figure

AD Priyanto; RJ Doerksen; C-I Chang; Y-C Lin; T-C Wang; SB Widjanarko; J Kusnadi; J-L Hsu “Data in support of optimized production of angiotensin-I converting enzyme inhibitory peptides derived from proteolytic hydrolysate of bitter melon seed proteins,” Data in Brief, 5, 403-407 (2015). doi: 10.1016/j.dib.2015.09.038

J Bae; LE McNamara; MA Nael; RJ Doerksen; GL Bidwell III; NI Hammer; S Jo “Nitroreductase specific activatable fluorescent probe for imaging,” Chemical Communications, 51, 12787-12790 (2015). doi: 10.1039/C5CC03824C

Journal cover: Chemical Communications      Graphical abstract: Nitroreductase-triggered activation of a novel caged fluorescent probe obtained from methylene blue

KM Brown; KK Roy; GH Hockerman; RJ Doerksen; DA Colby “Activation of the γ-aminobutyric acid type B (GABAB) receptor by agonists and positive allosteric modulators.“ Journal of Medicinal Chemistry, 58, 6336-6347 (2015). (Miniperspective) doi: 10.1021/jm5018913

Abstract ImageJournal of Medicinal Chemistry

CC Chen; M-L Wu; C-T Ho; RJ Doerksen; T-C Huang “Apoptotic induction by andrographolide in HL-60 cells via Ras/ERK/NF-κB and Ras/Akt/NF-κB signaling dependent down-regulation of glyoxalase 1 and HMG-CoA reductase.” Journal of Functional Foods, 14, 226-235 (2015). doi: 10.1016/j.jff.2015.01.048

P-S Su; RJ Doerksen; S-H Chen; W-C Sung; RDS Rawendra; C-R Chen; J-W Li; Aisha; T-C Huang; C-I Chang; M-H Liao; J-L Hsu “Screening and profiling stilbene-type natural products with angiotensin-converting enzyme inhibitory activity from Ampelopsis brevipedunculata var. hancei (Planch.) Rehder,” Journal of Pharmaceutical and Biomedical Analysis, 108, 70-77 (2015). doi: 10.1016/j.jpba.2015.01.053

   Image for unlabelled figure

H Liu; Y Ding; LA Walker; RJ Doerksen “Computational study on the effect of exocyclic substituents on the ionization potential of primaquine: Insights into the design of primaquine-based antimalarial drugs with less methemoglobin generation,” Chemical Research in Toxicology, 28, 169-174 (2015). doi: 10.1021/tx500230t PMID: 25222923

Abstract Image   Chemical Research in Toxicology

A Chatterjee; SJ Cutler; RJ Doerksen; IA Khan; JS Williamson “Discovery of novel thienoquinolone derivatives as selective and ATP non-competitive CDK5/p25 inhibitors by structure-based virtual screening,” Bioorganic & Medicinal Chemistry, 22, 6409-6421 (2014). doi: 10.1016/j.bmc.2014.09.043

                       Image for unlabelled figure

G Fu; P. Sivaprakasam; OR Dale; SP Manly; SJ Cutler; RJ Doerksen “Pharmacophore modeling, Ensemble docking, virtual screening, and biological evaluation on glycogen synthase kinase-3β.” Molecular Informatics, 33, 610–626 (2014). doi: 10.1002/minf.201400044

Molecular Informatics

G Fu; S Liu; X Nan; OR Dale; Z Zhao; Y Chen; DE Wilkins; SP Manly; SJ Cutler; RJ Doerksen “Quantitative structure-activity relationship analysis and a combined ligand-based/structure-based virtual screening study for glycogen synthase kinase-3.” Molecular Informatics, 33, 627–640 (2014). doi: 10.1002/minf.201400045

Molecular Informatics

Y Ding; H Liu; NPD Nanayakkara; IA Khan; BL Tekwani; LA Walker; RJ Doerksen “Hydroxylated derivatives of NPC1161: Theoretical insights into their potential toxicity and the feasibility and regioselectivity of their formation,” Journal of Physical Chemistry A, 118, 5501–5507 (2014). doi: 10.1021/jp502612t

Abstract ImageThe Journal of Physical Chemistry A

H Liu; RY Patel; RJ Doerksen “Structure of the cannabinoid receptor 1: Homology modeling of the inactive state and enrichment study based on CB1 antagonist docking.” MedChemComm, 5, 1297-1302 (2014). doi: 10.1039/C4MD00121D Inside cover article.

Journal cover: MedChemComm   Graphical abstract: Structure of the cannabinoid receptor 1: homology modeling of its inactive state and enrichment study based on CB1 antagonist docking

MM Ghoneim; KM Elokely; AA El-Hela; AEI Mohammad; M Jacob; M Radwan; RJ Doeksen; SJ Cutler; SA Ross “Asphodosides A-E, anti-MRSA metabolites from Asphodelus microcarpus,” Phytochemistry, 105, 79-84 (2014). doi: 10.1016/j.phytochem.2014.06.011

         Image for unlabelled figure

MM Ghoneim, KM Elokely; AA El-Hela; AEI Mohammad; M Jacob; SJ Cutler; RJ Doerksen; SA Ross “Isolation and characterization of new secondary metabolites from Asphodelus microcarpus,” Medicinal Chemistry Research, 23, 3510-3515 (2014). doi: 10.1007/s00044-014-0928-x

Medicinal Chemistry Research

J Bae; MA Nael; L Jiang; PT Hwang; F Mahdi; H-W Jun; WM Elshamy; Y-D Zhou; SN Murthy; RJ Doerksen; S Jo “Quinone propionic acid-based redox-triggered polymer nanoparticles for drug delivery: Computational analysis and in vitro evaluation,” Journal of Applied Polymer Science, 131 (2014). doi: 10.1002/app.40461

Journal of Applied Polymer Science

H Liu; BL Tekwani; NPD Nanayakkara; LA Walker; RJ Doerksen “Methemoglobin generation by 8-aminoquinolines: Effect of substitution at 5-position of primaquine,” Chemical Research in Toxicology, 26, 1801-1809 (2013). doi: 10.1021/tx400067a

Abstract Image  Chemical Research in Toxicology

MAM Ibrahim; M Na; J Oh; RF Schinazi; TR McBrayer; T Whitaker; RJ Doerksen; DJ Newman; LG Zachos; MT Hamann “The significance of endangered and threatened plant natural products in the control of human disease,” Proceedings of the National Academy of Sciences of the United States of America, 110, 16832-16837 (2013). doi: 10.1073/pnas.1311528110 Featured article in University of Washington’s Conservation Magazine and “Featured article recommended for teaching” in “F1000Prime”.


Z Zhao; G Fu; S Liu; KM Elokely; RJ Doerksen; Y Chen; DE Wilkins “Drug activity prediction using multiple-instance learning via joint instance and feature selection,” BMC Bioinformatics, 14 (Suppl 14), S16 (12 pp) (2013). (2013 MCBIOS Proceedings). doi: 10.1186/1471-2105-14-S14-S16

IH Hwang; J Oh; A Kochanowska-Karamyan; RJ Doerksen; M Na; MT Hamann “A novel natural phenyl alkene with cytotoxic activity,” Tetrahedron Letters, 54, 3872-3876 (2013). doi: 10.1016/j.tetlet.2013.05.032

Image for unlabelled figure

H Liu; Y Ding; LA Walker; RJ Doerksen “Effect of antimalarial drug primaquine and its derivatives on the ionization potential of hemoglobin: A QM/MM study,” MedChemComm, 4, 1145-1147 (2013). doi: 10.1039/C3MD00045A Cover article, August 2013.

Journal cover: MedChemComm

KM Elokely; RJ Doerksen “Docking challenge: Protein sampling and molecular docking performance,” Journal of Chemical Information & Modeling, 53, 1934–1945 (2013). doi: 10.1021/ci400040d PMID: 23530568 Featured on the cover of Issue 11, November 2013. Cited 40 times.

Abstract Image            Journal Cover

J Oh; JJ Bowling; Y Zou; AG Chittiboyina; RJ Doerksen; D Ferreira; TD Leininger; MT Hamann “Configurational assignments of conformationally restricted bis-monoterpene hydroquinones: Utility in exploration of endangered plants,” Biochemica et Biophysica Acta (BBA) – General Subjects, 1830, 4229-4234 (2013). doi: 10.1016/j.bbagen.2013.04.029; PMID: 23628705

MA Albadry; KM Elokely; B Wang; JJ Bowling; MF Abdelwahab; MH Hossein; RJ Doerksen; MT Hamann “Computationally assisted assignment of Kahalalide Y configuration using an NMR-constrained conformational search,” Journal of Natural Products, 76, 178-185 (2013). doi: 10.1021/np3006088; PMID: 23363083

Abstract Image   Journal of Natural Products

A Shayanfar; S Ghasemi; S Soltani; K Asadpour-Zeynali; RJ Doerksen; A Jouyban “Quantitative structure-activity relationships of imidazole-containing farnesyltransferase inhibitors using different chemometric methods,” Medicinal Chemistry, 9, 434-448 (2013). doi: 10.2174/1573406411309030014

G Fu; X Nan; H Liu; RY Patel; PR Daga; Y Chen; DE Wilkins; RJ Doerksen “Implementation of multiple-instance learning in drug activity prediction,” BMC Bioinformatics, 13, (Suppl 15) S3 (2012). doi: 10.1186/1471-2105-13-S15-S3; PMID: 23046442 (2012 MCBIOS Proceedings).

G Fu; H Liu; RJ Doerksen “Molecular modeling to provide insight into the substrate binding and catalytic mechanism of human biliverdin-IXα reductase,” Journal of Physical Chemistry B, 116, 9580-9594 (2012). doi: 10.1021/jp301456j; PMID: 22823425

Abstract ImageThe Journal of Physical Chemistry B

S Liu; RY Patel; PR Daga; H Liu; G Fu; RJ Doerksen; Y Chen; D Wilkins “Combined rule extraction and feature elimination in supervised classification,” IEEE Transactions on Nanobioscience, 11, 228-236 (2012). doi: 10.1109/TNB.2012.2213264; PMID: 22987128

LK Brents; F Medina-Bolivar; KA Seely; V Nair; SM Bratton; A Gallus-Zawada; L Ñopo; RY Patel; H Liu; RJ Doerksen; PL Prather; A Radominska-Pandya “Natural prenylated resveratrol analogs arachidin-1 and -3 demonstrate improved glucuronidation profiles and have affinity for cannabinoid receptors,” Xenobiotica, 42, 139-156 (2012). doi: 10.3109/00498254.2011.609570

Publication Cover

H Liu; LA Walker; RJ Doerksen “DFT study on the radical anions formed by primaquine and its derivatives,” Chemical Research in Toxicology, 24, 1476-1485 (2011). doi: 10.1021/tx200094v; PMID: 21699254

Abstract ImageChemical Research in Toxicology

H Liu; A Dasmahapatra; RJ Doerksen “Computational study on the conformations of gambogic acid,” Chemical Physics Letters, 511, 405-412 (2011). doi: 10.1016/j.cplett.2011.06.035; PMID: 22991483

  Image for unlabelled figure

X Nan; G Fu; Z Zhao; S Liu; RY Patel; H Liu; PR Daga; RJ Doerksen; X Dang; Y Chen; D Wilkins “Leveraging domain information to restructure biological prediction.” BMC Bioinformatics, 12, S22 (15 pp.) (2011) (2011 MCBIOS Proceedings). doi: 10.1186/1471-2105-12-S10-S22; PMID: 22166097

H Liu; LA Walker; NPD Nanayakkara; RJ Doerksen “Methemoglobinemia caused by 8-aminoquinoline drugs: DFT calculations suggest an analogy to H4B’s role in nitric oxide synthase,” Journal of the American Chemical Society, 133, 1172-1175 (2011). doi: 10.1021/ja107472c; PMID: 21244096

Abstract Image   Journal of the American Chemical Society

G Fu; RJ Doerksen; P Xu “Ab initio calculations of optical rotations and 1H chemical shifts allow absolute configuration assignment of sulfinyl dilactones,” Journal of Molecular Structure, 987, 166-173 (2011). doi: 10.1016/j.molstruc.2010.11.076

RY Patel; RJ Doerksen “Protein kinases-inhibitor database: analysis of structure variability and protein-inhibitor interactions within the P-loop,” Journal of Proteome Research, 9, 4433-4442 (2010). doi: 10.1021/pr100662s; PMID: 20681595 Cited >32 times.

Abstract Image   Journal of Proteome Research

FE Dayan; PR Daga; SO Duke; RM Lee; PJ Tranel; RJ Doerksen “Biochemical and structural consequences of a glycine deletion in the α-8 helix of protoporphyrinogen oxidase,” BBA – Proteins and Proteomics, 1804, 1548-1556 (2010). doi: 10.1016/j.bbapap.2010.04.004 Cited 24 times.

R Mohammed; J Peng; M Kelly; M Yousaf; E Winn; S Odde; Z Bie; A Xie; RJ Doerksen; MT Hamann “Polyketide-peroxides from a species of Jamaican plakortis (Porifera: Demospongiae),” Australian Journal of Chemistry, 63, 1-9 (2010). Special Issue. doi: 10.1071/CH09665

Graphical Abstract Image         Australian Journal of Chemistry

PR Daga; J Duan; RJ Doerksen “Understanding protein-ligand interactions in hepatitis B virus DNA polymerase by homology modeling, molecular docking, and molecular dynamics simulations,” Protein Science, 19, 796-807 (2010). doi: 10.1002/pro.359; PMID: 20162615

Protein Science

H Liu; CR McCurdy; RJ Doerksen “Computational study on the conformations of mitragynine and mitragynaline,” Journal of Molecular Structure: Theochem, 945, 57-63 (2010). doi: 10.1016/j.theochem.2010.01.011; PMID: 21293786

J Peng; S Kudrimoti; S Prasanna; S Odde; RJ Doerksen; HK Pennaka; Y-M Choo; KV Rao; BL Tekwani; V Madgula; SI Khan; B Wang; AMS Mayer; MR Jacob; LC Tu; J Gertsch; MT Hamann “Structure activity relationship and mechanism of action studies of manzamine analogues for the control of neuroinflammation and cerebral infections,” Journal of Medicinal Chemistry, 53, 61-76 (2010). doi: 10.1021/jm900672t; PMID: 20017491 Cited >47 times.

Abstract Image       Journal of Medicinal Chemistry

PR Daga; RY Patel; RJ Doerksen “Template-based protein modeling: Recent methodological advances,” Current Topics in Medicinal Chemistry, 10, 84-94 (2010). PRD and RYP were joint first authors. (Invited review.) doi: 10.2174/156802610790232314 PMID: 19929829 Cited >36 times.

S Kudrimoti; SA Ahmed; PR Daga; AE Wahba; SI Khalifa; RJ Doerksen; MT Hamann “Semisynthetic latrunculin B analogs: Studies of actin docking support a proposed mechanism for latrunculin bioactivity,” Bioorganic & Medicinal Chemistry, 17, 7517-7522 (2009). doi: 10.1016/j.bmc.2009.09.012; PMID: 19800245

P Sivaprakasam; PN Tosso; RJ Doerksen “Structure-activity relationship and comparative docking studies for cycloguanil analogs as PfDHFR-TS inhibitors,” Journal of Chemical Information & Modeling, 49, 1787-1796 (2009). doi: 10.1021/ci9000663; PMID: 19588935

A Xie; S Odde; P Sivaprakasam; RJ Doerksen “Imidazole-containing farnesyltransferase inhibitors: 3D quantitative structure-activity relationship and molecular docking studies,” Journal of Computer-Aided Molecular Design, 23, 431-448 (2009). doi: 10.1007/s10822-009-9278-z; PMID: 19479325

A Xie; SR Clark; S Prasanna; RJ Doerksen “3D quantitative structure-farnesyltransferase inhibition analysis for some diaminobenzophenones,” Journal of Enzyme Inhibition & Medicinal Chemistry, 24, 1220-1228 (2009). doi: 10.3109/14756360902781389; PMID: 19912055

S Prasanna; RJ Doerksen “Topological polar surface area: A useful descriptor in 2D-QSAR,” Current Medicinal Chemistry, 16, 21-41 (2009). doi: 10.2174/092986709787002817 PMID: 19149561 Cited >40 times.

S Prasanna; PR Daga; A Xie; RJ Doerksen “Glycogen synthase kinase-3 inhibition by 3-anilino-4-phenylmaleimides: Insights from 3D-QSAR and docking,” Journal of Computer-Aided Molecular Design, 23, 113-127 (2009). doi: 10.1007/s10822-008-9244-1 PMID: 18839067 Cited >22 times.

MA Ibrahim; AG Shilabin; S Prasanna; M Jacob; SI Khan; RJ Doerksen; MT Hamann “2-N-Methyl modifications and SAR studies of manzamine A,” Bioorganic & Medicinal Chemistry, 16, 6702-6706 (2008). PMID: 18595720

PR Daga; RJ Doerksen “Stereoelectronic properties of spiroquinazolinones in differential PDE7 inhibitory activity,” Journal of Computational Chemistry 29, 1945-1954 (2008). doi: 10.1002/jcc.20960 PMID: 18366018

SA Ahmed; S Odde; PR Daga; JJ Bowling; MK Mesbah; DT Youssef; SI Khalifa; RJ Doerksen; MT Hamann “Latrunculin with a highly oxidized thiazolidinone ring:  Structure assignment and actin docking,” Organic Letters 9, 4773-4776 (2007). doi: 10.1021/ol7020675 Cited >25 times.

P Sivaprakasam; A Xie; RJ Doerksen “Probing the physicochemical and structural requirements for glycogen synthase kinase-3α inhibition: 2D-QSAR for 3-anilino-4-phenylmaleimides,” Bioorganic & Medicinal Chemistry 14, 8210-8218 (2006). doi: 10.1016/j.bmc.2006.09.021; PMID: 17010615 Cited >44 times.

A Xie; P Sivaprakasam; RJ Doerksen “3D-QSAR analysis of antimalarial farnesyltransferase inhibitors based on a 2, 5-diaminobenzophenone scaffold,” Bioorganic & Medicinal Chemistry 14, 7311-7323 (2006). doi: 10.1016/j.bmc.2006.06.041; PMID: 16837204 Cited >37 times.

Y Shao; LF Molnar; Y Jung; J Kussmann; C Ochsenfeld; ST Brown; ATB Gilbert; LV Slipchenko; SV Levchenko; DP O’Neill; RA DiStasio; RC Lochan; T Wang; GJO Beran; NA Besley; JM Herbert; CY Lin; T Van Voorhis; SH Chien; A Sodt; RP Steele; VA Rassolov; PE Maslen; PP Korambath; RD Adamson; B Austin; J Baker; EFC Byrd; H Dachsel; RJ Doerksen; A Dreuw; BD Dunietz; AD Dutoi; TR Furlani; SR Gwaltney; A Heyden; S Hirata; CP Hsu; G Kedziora; RZ Khalliulin; P Klunzinger; AM Lee; MS Lee; W Liang; I Lotan; N Nair; B Peters; EI Proynov; PA Pieniazek; YM Rhee; J Ritchie; E Rosta; CD Sherrill; AC Simmonett; JE Subotnik; HL Woodcock; W Zhang; AT Bell; AK Chakraborty; DM Chipman; FJ Keil; A Warshel; WJ Hehre; HF Schaefer; J Kong; AI Krylov; PMW Gill; M Head-Gordon “Advances in methods and algorithms in a modern quantum chemistry program package,” Physical Chemistry Chemical Physics 8, 3172-3191 (2006). doi: 10.1039/B517914A Cited >1996 times. Invited article.

H Tang; RJ Doerksen; TV Jones; ML Klein; GN Tew “Biomimetic facially amphiphilic antibacterial oligomers with conformationally stiff backbones,” Chemistry & Biology 13, 427-435 (2006). doi: 10.1016/j.chembiol.2006.02.007 Cited 70 times.

H Tang; RJ Doerksen; GN Tew “Synthesis of urea oligomers and their antibacterial activity,” Chemical Communications, 1537-1539 (2005). doi: 10.1039/B413679A Cited >56 times.

RJ Doerksen; B Chen; D Liu; GN Tew; WF DeGrado; ML Klein “Controlling the conformation of arylamides: Computational studies of intramolecular hydrogen bonds between amides and ethers or thioethers,” Chemistry: A European Journal 10, 5008 (2004). doi: 10.1002/chem.200400176 Cited >36 times.

D Liu; S Choi; B Chen; RJ Doerksen; DJ Clements; JD Winkler; ML Klein; WF DeGrado “Nontoxic membrane-active antimicrobial arylamide oligomers,” Angewandte Chemie International Edition 44, 1158 (2004). doi: 10.1002/anie.200352791″ Cited >207 times. Cover article, February 20, 2004.

RJ Doerksen; VJ Steeves; AJ Thakkar “Are polarizabilities useful as aromaticity indices? Tests on azines, azoles, oxazoles and thiazoles,” Special issue on polarizabilities. Journal of Computational Methods in Science and Engineering 3, 427-438 (2004). Also appears in Computational Aspects of Electric Polarizability Calculations: Atoms, Molecules and Clusters, G Maroulis (Editor) IOS Press, Amsterdam (2004). ISBN: 158603495

RJ Doerksen; B Chen; J Yuan; JD Winkler; ML Klein “Novel conformationally-constrained β-peptides characterized by 1H NMR chemical shifts,” Chemical Communications, 2534 (2003). doi: 10.1039/B309584C Cited >27 times.

RJ Doerksen; B Chen; ML Klein “Intramolecular hydrogen bonds: Ab initio Car-Parrinello simulations of arylamide torsions,” Chemical Physics Letters 380, 150 (2003). doi: 10.1016/j.cplett.2003.08.112

GN Tew; D Liu; B Chen; RJ Doerksen; J Kaplan; PJ Carroll; ML Klein; WF DeGrado “De novo design of biomimetic antimicrobial polymers,” Proceedings of the National Academy of Sciences of the United States of America 99, 5110 (2002). Featured in Chemical & Engineering News 80, No. 23, 36-38 (June 10, 2002). Also, featured in the year-end Chemistry Highlights 2002 of Chemical & Engineering News 80, No. 50, 47 (December 16, 2002). doi: 10.1073/pnas.082046199 Cited >384 times.

RJ Doerksen; AJ Thakkar “Bond orders in heteroaromatic rings,” International Journal of Quantum Chemistry 90, 534 (2002). doi: 10.1002/qua.998

RJ Doerksen; AJ Thakkar “Quadrupole and octopole moments of heteroaromatic rings,” Journal of Physical Chemistry A 103, 10009 (1999). doi: 10.1021/jp992524v Cited >53 times.

RJ Doerksen; AJ Thakkar “Structures, vibrational frequencies and polarizabilities of diazaborinines, triazadiborinines, azaboroles, and oxazaboroles,” Journal of Physical Chemistry A 103, 2141 (1999). doi: 10.1021/jp984256r Cited >34 times.

RJ Doerksen; AJ Thakkar; T Koga; M Hayashi “Geometries and multipole moments of AlH4, SiH4, PH3, H2S and HCl,” Theochem 488, 217 (1999). doi: 10.1016/S0166-1280(99)00020-2

RJ Doerksen; AJ Thakkar “Azaborinines: Structures, vibrational frequencies and polarizabilities,” Journal of Physical Chemistry A 102, 4679 (1998). doi: 10.1021/jp980778v Cited >20 times.

RJ Doerksen; AJ Thakkar “Polarizabilities of heteroaromatic molecules: Azines revisited,” International Journal of Quantum Chemistry 60, 421 (1996). doi: ijqc.html#60(1):October:1996 Cited >26 times.

N El-Bakali Kassimi; RJ Doerksen; AJ Thakkar “Polarizabilities of oxazoles: ab initio calculations and simple models,” Journal of Physical Chemistry 100, 8752 (1996). doi: 10.1021/jp953425u Cited >33 times.

N El-Bakali Kassimi; RJ Doerksen; AJ Thakkar “Polarizabilities of aromatic five-membered rings: Azoles,” Journal of Physical Chemistry 99, 12790 (1995). doi: 10.1021/j100034a01 Cited >53 times.