Robert J. Doerksen - Publications

Affiliations: 
Medicinal Chemistry The University of Mississippi, USA 
Area:
Pharmacy, Bioinformatics Biology

82 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2019 Liu J, Pandey P, Wang X, Adams K, Qi X, Chen J, Sun H, Hou Q, Ferreira D, Doerksen RJ, Hamann MT, Li S. Hepatoprotective Tetrahydrobenzocyclooctabenzofuranone Lignans from . Journal of Natural Products. PMID 31556297 DOI: 10.1021/acs.jnatprod.9b00576  0.56
2019 Zou Y, Wang X, Sims J, Wang B, Pandey P, Welsh C, Stone RS, Avery MA, Doerksen RJ, Ferreira D, Anklin C, Valeriote FA, Kelly M, Hamann MT. Computationally-Assisted Discovery and Assignment of a Highly Strained and PANC-1 Selective Alkaloid from Alaska's Deep Ocean. Journal of the American Chemical Society. PMID 30758203 DOI: 10.1021/jacs.8b11403  0.56
2018 Pandey P, Roy KK, Liu H, Ma G, Pettaway S, Alsharif WF, Gadepalli RS, Rimoldi JM, McCurdy CR, Cutler SJ, Doerksen RJ. Structure-Based Identification of Potent Natural Product Chemotypes as Cannabinoid Receptor 1 Inverse Agonists. Molecules (Basel, Switzerland). 23. PMID 30322136 DOI: 10.3390/molecules23102630  0.4
2018 Malak LG, Ibrahim MA, Moharram AM, Pandey P, Tekwani B, Doerksen RJ, Ferreira D, Ross SA. Antileishmanial Carbasugars from Geosmithia langdonii. Journal of Natural Products. PMID 30298736 DOI: 10.1021/acs.jnatprod.8b00473  0.4
2018 Wang X, Liu J, Pandey P, Fronczek FR, Doerksen RJ, Chen J, Qi X, Zhang P, Ferreira D, Valeriote FA, Sun H, Li S, Hamann MT. Computationally Assisted Assignment of the Kadsuraols, a Class of Chemopreventive Agents for the Control of Liver Cancer. Organic Letters. PMID 30192555 DOI: 10.1021/acs.orglett.8b02207  0.56
2018 Liu J, Pandey P, Wang X, Qi X, Chen J, Sun H, Zhang P, Ding Y, Ferreira D, Doerksen RJ, Hamann MT, Li S. Hepatoprotective Dibenzocyclooctadiene and Tetrahydrobenzocyclooctabenzofuranone Lignans from Kadsura longipedunculata. Journal of Natural Products. PMID 29595972 DOI: 10.1021/acs.jnatprod.7b00934  0.56
2017 Wang X, Liu J, Pandey P, Chen J, Fronczek FR, Parnham S, Qi X, Doerksen RJ, Ferreira D, Sun H, Li S, Hamann MT. Assignment of the absolute configuration of hepatoprotective highly oxygenated triterpenoids using X-ray, ECD, NMR J-based configurational analysis and HSQC overlay experiments. Biochimica Et Biophysica Acta. PMID 28919469 DOI: 10.1016/j.bbagen.2017.09.001  0.56
2016 Oh J, Liu H, Park HB, Ferreira D, Jeong GS, Hamann MT, Doerksen RJ, Na M. In silico investigation of lavandulyl flavonoids for the development of potent fatty acid synthase-inhibitory prototypes. Biochimica Et Biophysica Acta. PMID 27531709 DOI: 10.1016/j.bbagen.2016.08.001  0.56
2016 Ding Y, Liu H, Tekwani BL, Nanayakkara NP, Khan IA, Walker LA, Doerksen RJ. Methemoglobinemia Hemotoxicity of Some Antimalarial 8-Aminoquinoline Analogues and Their Hydroxylated Derivatives: Density Functional Theory Computation of Ionization Potentials. Chemical Research in Toxicology. PMID 27223244 DOI: 10.1021/acs.chemrestox.6b00063  1
2015 Priyanto AD, Doerksen RJ, Chang CI, Sung WC, Widjanarko SB, Kusnadi J, Lin YC, Wang TC, Hsu JL. 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. PMID 26344130 DOI: 10.1016/j.jprot.2015.08.018  1
2015 Mohammed NN, Pandey P, Khan NS, Elokely KM, Liu H, Doerksen RJ, Repka MA. Clotrimazole-cyclodextrin based approach for the management and treatment of Candidiasis - A formulation and chemistry-based evaluation. Pharmaceutical Development and Technology. 1-11. PMID 25923135 DOI: 10.3109/10837450.2015.1041041  1
2015 Brown KM, Roy KK, Hockerman GH, Doerksen RJ, Colby DA. Activation of the γ-Aminobutyric Acid Type B (GABAB) Receptor by Agonists and Positive Allosteric Modulators. Journal of Medicinal Chemistry. PMID 25856547 DOI: 10.1021/jm5018913  1
2015 Su PS, Doerksen RJ, Chen SH, Sung WC, Juan CC, Rawendra RD, Chen CR, Li JW, Aisha, Huang TC, Liao MH, Chang CI, Hsu JL. 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: 70-7. PMID 25710905 DOI: 10.1016/j.jpba.2015.01.053  1
2015 Liu H, Ding Y, Walker LA, Doerksen RJ. 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. PMID 25222923 DOI: 10.1021/tx500230t  1
2015 Bae J, McNamara LE, Nael MA, Mahdi F, Doerksen RJ, Bidwell GL, Hammer NI, Jo S. Nitroreductase-triggered activation of a novel caged fluorescent probe obtained from methylene blue Chemical Communications. 51: 12787-12790. DOI: 10.1039/c5cc03824c  1
2015 Chen CC, Wu ML, Doerksen RJ, Ho CT, Huang TC. Andrographolide induces apoptosis via down-regulation of glyoxalase 1 and HMG-CoA reductase in HL-60 cells Journal of Functional Foods. 14: 226-235. DOI: 10.1016/j.jff.2015.01.048  1
2015 Priyanto AD, Doerksen RJ, Chang CI, Sung WC, Widjanarko SB, Kusnadi J, Lin YC, Wang TC, Hsu JL. 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. DOI: 10.1016/j.dib.2015.09.038  1
2014 Ghoneim MM, Elokely KM, El-Hela AA, Mohammad AE, Jacob M, Cutler SJ, Doerksen RJ, Ross SA. Isolation and characterization of new secondary metabolites from Asphodelus microcarpus. Medicinal Chemistry Research : An International Journal For Rapid Communications On Design and Mechanisms of Action of Biologically Active Agents. 23: 3510-3515. PMID 27713615 DOI: 10.1007/s00044-014-0928-x  1
2014 Fu G, Liu S, Nan X, Dale OR, Zhao Z, Chen Y, Wilkins DE, Manly SP, Cutler SJ, Doerksen RJ. Quantitative Structure-Activity Relationship Analysis and a Combined Ligand-Based/Structure-Based Virtual Screening Study for Glycogen Synthase Kinase-3. Molecular Informatics. 33: 627-40. PMID 27486081 DOI: 10.1002/minf.201400045  0.4
2014 Fu G, Sivaprakasam P, Dale OR, Manly SP, Cutler SJ, Doerksen RJ. Pharmacophore Modeling, Ensemble Docking, Virtual Screening, and Biological Evaluation on Glycogen Synthase Kinase-3β. Molecular Informatics. 33: 610-26. PMID 27486080 DOI: 10.1002/minf.201400044  1
2014 Chatterjee A, Cutler SJ, Doerksen RJ, Khan IA, Williamson JS. Discovery of thienoquinolone derivatives as selective and ATP non-competitive CDK5/p25 inhibitors by structure-based virtual screening. Bioorganic & Medicinal Chemistry. 22: 6409-21. PMID 25438765 DOI: 10.1016/j.bmc.2014.09.043  1
2014 Ghoneim MM, Elokely KM, El-Hela AA, Mohammad AE, Jacob M, Radwan MM, Doerksen RJ, Cutler SJ, Ross SA. Asphodosides A-E, anti-MRSA metabolites from Asphodelus microcarpus. Phytochemistry. 105: 79-84. PMID 25034614 DOI: 10.1016/j.phytochem.2014.06.011  1
2014 Ding Y, Liu H, Nanayakkara NP, Khan IA, Tekwani BL, Walker LA, Doerksen RJ. Hydroxylated derivatives of NPC1161: theoretical insights into their potential toxicity and the feasibility and regioselectivity of their formation. The Journal of Physical Chemistry. A. 118: 5501-7. PMID 24956138 DOI: 10.1021/jp502612t  1
2014 Liu H, Patel RY, Doerksen RJ. Structure of the cannabinoid receptor 1: Homology modeling of its inactive state and enrichment study based on CB1 antagonist docking Medchemcomm. 5: 1297-1302. DOI: 10.1039/c4md00121d  1
2014 Ghoneim MM, Elokely KM, El-Hela AA, Mohammad AEI, Jacob M, Cutler SJ, Doerksen RJ, Ross SA. Isolation and characterization of new secondary metabolites from Asphodelus microcarpus Medicinal Chemistry Research. 23: 3510-3515. DOI: 10.1007/s00044-014-0928-x  1
2014 Fu G, Liu S, Nan X, Dale OR, Zhao Z, Chen Y, Wilkins DE, Manly SP, Cutler SJ, Doerksen RJ. Quantitative structure-activity relationship analysis and a combined ligand-based/structure-based virtual screening study for glycogen synthase kinase-3 Molecular Informatics. DOI: 10.1002/minf.201400045  1
2014 Bae J, Nael MA, Jiang L, Hwang PT, Mahdi F, Jun HW, Elshamy WM, Zhou YD, Murthy SN, Doerksen RJ, Jo S. Quinone propionic acid-based redox-triggered polymer nanoparticles for drug delivery: Computational analysis and in vitro evaluation Journal of Applied Polymer Science. 131. DOI: 10.1002/app.40461  1
2013 Hwang IH, Oh J, Kochanowska-Karamyan A, Doerksen RJ, Na M, Hamann MT. A novel natural phenyl alkene with cytotoxic activity. Tetrahedron Letters. 54: 3872-3876. PMID 27795588 DOI: 10.1016/j.tetlet.2013.05.032  0.56
2013 Zhao Z, Fu G, Liu S, Elokely KM, Doerksen RJ, Chen Y, Wilkins DE. Drug activity prediction using multiple-instance learning via joint instance and feature selection. Bmc Bioinformatics. 14: S16. PMID 24267824 DOI: 10.1186/1471-2105-14-S14-S16  1
2013 Liu H, Tekwani BL, Nanayakkara NP, Walker LA, Doerksen RJ. Methemoglobin generation by 8-aminoquinolines: effect of substitution at 5-position of primaquine. Chemical Research in Toxicology. 26: 1801-9. PMID 24224488 DOI: 10.1021/tx400067a  1
2013 Ibrahim MA, Na M, Oh J, Schinazi RF, McBrayer TR, Whitaker T, Doerksen RJ, Newman DJ, Zachos LG, Hamann MT. 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: 16832-7. PMID 24082148 DOI: 10.1073/pnas.1311528110  1
2013 Liu H, Ding Y, Walker LA, Doerksen RJ. Effect of antimalarial drug primaquine and its derivatives on the ionization potential of hemoglobin: A QM/MM study. Medchemcomm. 4: 1145-1147. PMID 23914290 DOI: 10.1039/C3MD00045A  1
2013 Oh J, Bowling JJ, Zou Y, Chittiboyina AG, Doerksen RJ, Ferreira D, Leininger TD, Hamann MT. Configurational assignments of conformationally restricted bis-monoterpene hydroquinones: utility in exploration of endangered plants. Biochimica Et Biophysica Acta. 1830: 4229-34. PMID 23628705 DOI: 10.1016/j.bbagen.2013.04.029  1
2013 Elokely KM, Doerksen RJ. Docking challenge: protein sampling and molecular docking performance. Journal of Chemical Information and Modeling. 53: 1934-45. PMID 23530568 DOI: 10.1021/ci400040d  1
2013 Albadry MA, Elokely KM, Wang B, Bowling JJ, Abdelwahab MF, Hossein MH, Doerksen RJ, Hamann MT. Computationally assisted assignment of kahalalide Y configuration using an NMR-constrained conformational search. Journal of Natural Products. 76: 178-85. PMID 23363083 DOI: 10.1021/np3006088  1
2013 Shayanfar A, Ghasemi S, Soltani S, Asadpour-Zeynali K, Doerksen RJ, Jouyban A. Quantitative structure-activity relationships of imidazole-containing farnesyltransferase inhibitors using different chemometric methods. Medicinal Chemistry (ShāRiqah (United Arab Emirates)). 9: 434-48. PMID 22920090 DOI: 10.2174/1573406411309030014  1
2013 Hwang IH, Oh J, Kochanowska-Karamyan A, Doerksen RJ, Na M, Hamann MT. A novel natural phenyl alkene with cytotoxic activity Tetrahedron Letters. 54: 3872-3876. DOI: 10.1016/j.tetlet.2013.05.032  1
2012 Fu G, Nan X, Liu H, Patel RY, Daga PR, Chen Y, Wilkins DE, Doerksen RJ. Implementation of multiple-instance learning in drug activity prediction. Bmc Bioinformatics. 13: S3. PMID 23046442 DOI: 10.1186/1471-2105-13-S15-S3  1
2012 Liu S, Patel RY, Daga PR, Liu H, Fu G, Doerksen RJ, Chen Y, Wilkins DE. Combined rule extraction and feature elimination in supervised classification. Ieee Transactions On Nanobioscience. 11: 228-36. PMID 22987128 DOI: 10.1109/TNB.2012.2213264  1
2012 Fu G, Liu H, Doerksen RJ. Molecular modeling to provide insight into the substrate binding and catalytic mechanism of human biliverdin-IXα reductase. The Journal of Physical Chemistry. B. 116: 9580-94. PMID 22823425 DOI: 10.1021/jp301456j  1
2012 Brents LK, Medina-Bolivar F, Seely KA, Nair V, Bratton SM, Nopo-Olazabal L, Patel RY, Liu H, Doerksen RJ, Prather PL, Radominska-Pandya A. Natural prenylated resveratrol analogs arachidin-1 and -3 demonstrate improved glucuronidation profiles and have affinity for cannabinoid receptors. Xenobiotica; the Fate of Foreign Compounds in Biological Systems. 42: 139-56. PMID 21970716 DOI: 10.3109/00498254.2011.609570  1
2011 Liu H, Dasmahapatra A, Doerksen RJ. Computational Study on the Conformations of Gambogic Acid. Chemical Physics Letters. 511: 405-412. PMID 22991483 DOI: 10.1016/j.cplett.2011.06.035  1
2011 Nan X, Fu G, Zhao Z, Liu S, Patel RY, Liu H, Daga PR, Doerksen RJ, Dang X, Chen Y, Wilkins D. Leveraging domain information to restructure biological prediction. Bmc Bioinformatics. 12: S22. PMID 22166097 DOI: 10.1186/1471-2105-12-S10-S22  1
2011 Liu H, Walker LA, Doerksen RJ. DFT study on the radical anions formed by primaquine and its derivatives. Chemical Research in Toxicology. 24: 1476-85. PMID 21699254 DOI: 10.1021/tx200094v  1
2011 Liu H, Walker LA, Nanayakkara NP, Doerksen RJ. 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: 1172-5. PMID 21244096 DOI: 10.1021/ja107472c  1
2011 Liu S, Patel RY, Daga PR, Liu H, Fu G, Doerksen R, Chen Y, Wilkins D. Multi-class joint rule extraction and feature selection for biological data Proceedings - 2011 Ieee International Conference On Bioinformatics and Biomedicine, Bibm 2011. 476-481. DOI: 10.1109/BIBM.2011.82  1
2011 Fu G, Doerksen RJ, Xu P. Assignment of absolute configuration of sulfinyl dilactones: Optical rotations and 1H NMR experiment and DFT calculations Journal of Molecular Structure. 987: 166-173. DOI: 10.1016/j.molstruc.2010.11.076  1
2010 Liu H, McCurdy CR, Doerksen RJ. Computational Study on the Conformations of Mitragynine and Mitragynaline. Theochem. 945: 57-63. PMID 21293786 DOI: 10.1016/j.theochem.2010.01.011  1
2010 Patel RY, Doerksen RJ. Protein kinase-inhibitor database: structural variability of and inhibitor interactions with the protein kinase P-loop. Journal of Proteome Research. 9: 4433-42. PMID 20681595 DOI: 10.1021/pr100662s  1
2010 Dayan FE, Daga PR, Duke SO, Lee RM, Tranel PJ, Doerksen RJ. Biochemical and structural consequences of a glycine deletion in the alpha-8 helix of protoporphyrinogen oxidase. Biochimica Et Biophysica Acta. 1804: 1548-56. PMID 20399914 DOI: 10.1016/j.bbapap.2010.04.004  1
2010 Daga PR, Duan J, Doerksen RJ. Computational model of hepatitis B virus DNA polymerase: molecular dynamics and docking to understand resistant mutations. Protein Science : a Publication of the Protein Society. 19: 796-807. PMID 20162615 DOI: 10.1002/pro.359  1
2010 Peng J, Kudrimoti S, Prasanna S, Odde S, Doerksen RJ, Pennaka HK, Choo YM, Rao KV, Tekwani BL, Madgula V, Khan SI, Wang B, Mayer AM, Jacob MR, Tu LC, et al. 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. PMID 20017491 DOI: 10.1021/jm900672t  1
2010 Daga PR, Patel RY, Doerksen RJ. Template-based protein modeling: recent methodological advances. Current Topics in Medicinal Chemistry. 10: 84-94. PMID 19929829 DOI: 10.2174/156802610790232314  1
2010 Mohammed R, Peng J, Kelly M, Yousaf M, Winn E, Odde S, Bie Z, Xie A, Doerksen RJ, Hamann MT. Polyketide-peroxides from a species of Jamaican plakortis (Porifera: Demospongiae) Australian Journal of Chemistry. 63: 877-885. DOI: 10.1071/CH09665  1
2009 Xie A, Clark SR, Prasanna S, Doerksen RJ. Three-dimensional quantitative structure-farnesyltransferase inhibition analysis for some diaminobenzophenones. Journal of Enzyme Inhibition and Medicinal Chemistry. 24: 1220-8. PMID 19912055 DOI: 10.3109/14756360902781389  1
2009 Kudrimoti S, Ahmed SA, Daga PR, Wahba AE, Khalifa SI, Doerksen RJ, Hamann MT. Semisynthetic latrunculin B analogs: studies of actin docking support a proposed mechanism for latrunculin bioactivity. Bioorganic & Medicinal Chemistry. 17: 7517-22. PMID 19800245 DOI: 10.1016/j.bmc.2009.09.012  1
2009 Sivaprakasam P, Tosso PN, Doerksen RJ. Structure-activity relationship and comparative docking studies for cycloguanil analogs as PfDHFR-TS inhibitors. Journal of Chemical Information and Modeling. 49: 1787-96. PMID 19588935 DOI: 10.1021/ci9000663  1
2009 Xie A, Odde S, Prasanna S, Doerksen RJ. Imidazole-containing farnesyltransferase inhibitors: 3D quantitative structure-activity relationships and molecular docking. Journal of Computer-Aided Molecular Design. 23: 431-48. PMID 19479325 DOI: 10.1007/s10822-009-9278-z  1
2009 Prasanna S, Doerksen RJ. Topological polar surface area: A useful descriptor in 2D-QSAR Current Medicinal Chemistry. 16: 21-41. PMID 19149561 DOI: 10.2174/092986709787002817  1
2009 Prasanna S, Daga PR, Xie A, Doerksen RJ. Glycogen synthase kinase-3 inhibition by 3-anilino-4-phenylmaleimides: insights from 3D-QSAR and docking. Journal of Computer-Aided Molecular Design. 23: 113-27. PMID 18839067 DOI: 10.1007/s10822-008-9244-1  1
2008 Ibrahim MA, Shilabin AG, Prasanna S, Jacob M, Khan SI, Doerksen RJ, Hamann MT. 2-N-Methyl modifications and SAR studies of manzamine A. Bioorganic & Medicinal Chemistry. 16: 6702-6. PMID 18595720 DOI: 10.1016/j.bmc.2008.05.079  1
2008 Daga PR, Doerksen RJ. Stereoelectronic properties of spiroquinazolinones in differential PDE7 inhibitory activity. Journal of Computational Chemistry. 29: 1945-54. PMID 18366018 DOI: 10.1002/jcc.20960  1
2007 Ahmed SA, Odde S, Daga PR, Bowling JJ, Mesbah MK, Youssef DT, Khalifa SI, Doerksen RJ, Hamann MT. Latrunculin with a highly oxidized thiazolidinone ring: structure assignment and actin docking. Organic Letters. 9: 4773-6. PMID 17929935 DOI: 10.1021/ol7020675  1
2006 Sivaprakasam P, Xie A, Doerksen RJ. Probing the physicochemical and structural requirements for glycogen synthase kinase-3alpha inhibition: 2D-QSAR for 3-anilino-4-phenylmaleimides. Bioorganic & Medicinal Chemistry. 14: 8210-8. PMID 17010615 DOI: 10.1016/j.bmc.2006.09.021  1
2006 Shao Y, Molnar LF, Jung Y, Kussmann J, Ochsenfeld C, Brown ST, Gilbert AT, Slipchenko LV, Levchenko SV, O'Neill DP, DiStasio RA, Lochan RC, Wang T, Beran GJ, Besley NA, ... ... Doerksen RJ, et al. Advances in methods and algorithms in a modern quantum chemistry program package. Physical Chemistry Chemical Physics : Pccp. 8: 3172-91. PMID 16902710 DOI: 10.1039/b517914a  1
2006 Xie A, Sivaprakasam P, Doerksen RJ. 3D-QSAR analysis of antimalarial farnesyltransferase inhibitors based on a 2,5-diaminobenzophenone scaffold. Bioorganic & Medicinal Chemistry. 14: 7311-23. PMID 16837204 DOI: 10.1016/j.bmc.2006.06.041  1
2006 Tang H, Doerksen RJ, Jones TV, Klein ML, Tew GN. Biomimetic facially amphiphilic antibacterial oligomers with conformationally stiff backbones. Chemistry & Biology. 13: 427-35. PMID 16632255 DOI: 10.1016/j.chembiol.2006.02.007  1
2005 Tang H, Doerksen RJ, Tew GN. Synthesis of urea oligomers and their antibacterial activity. Chemical Communications (Cambridge, England). 1537-9. PMID 15770251 DOI: 10.1039/b413679a  1
2004 Doerksen RJ, Chen B, Liu D, Tew GN, Degrado WF, Klein ML. Controlling the conformation of arylamides: computational studies of intramolecular hydrogen bonds between amides and ethers or thioethers. Chemistry (Weinheim An Der Bergstrasse, Germany). 10: 5008-16. PMID 15372664 DOI: 10.1002/chem.200400176  1
2004 Liu D, Choi S, Chen B, Doerksen RJ, Clements DJ, Winkler JD, Klein ML, DeGrado WF. Nontoxic membrane-active antimicrobial arylamide oligomers. Angewandte Chemie (International Ed. in English). 43: 1158-62. PMID 14983462 DOI: 10.1002/anie.200352791  1
2004 Doerksen RJ, Steeves VJ, Thakkar AJ. Are polarizabilities useful as aromaticity indices? Tests on azines, azoles, oxazoles and thiazoles Journal of Computational Methods in Sciences and Engineering. 4: 427-438.  1
2003 Doerksen RJ, Chen B, Klein ML. Intramolecular hydrogen bonds: Ab initio Car-Parrinello simulations of arylamide torsions Chemical Physics Letters. 380: 150-157. DOI: 10.1016/j.cplett.2003.08.112  1
2003 Doerksen RJ, Chen B, Yuan J, Winkler JD, Klein ML. Novel conformationally-constrained β-peptides characterized by 1H NMR chemical shifts Chemical Communications. 9: 2534-2535.  1
2002 Tew GN, Liu D, Chen B, Doerksen RJ, Kaplan J, Carroll PJ, Klein ML, DeGrado WF. De novo design of biomimetic antimicrobial polymers. Proceedings of the National Academy of Sciences of the United States of America. 99: 5110-4. PMID 11959961 DOI: 10.1073/pnas.082046199  1
2002 Doerksen RJ, Thakkar AJ. Bond orders in heteroaromatic rings International Journal of Quantum Chemistry. 90: 534-540. DOI: 10.1002/qua.998  1
1999 Doerksen RJ, Thakkar AJ, Koga T, Hayashi M. Geometries and multipole moments of A1H4/-, SiH4, PH3, H2S and HCl Journal of Molecular Structure: Theochem. 488: 217-221. DOI: 10.1016/S0166-1280(99)00020-2  1
1999 Doerksen RJ. structures, vibrational frequencies and polarizabilities of diazaborinines, triazadiborinines, azaboroles, and oxazaboroles Journal of Physical Chemistry A. 103: 2141-2151.  1
1999 Doerksen RJ, Thakkar AJ. Quadrupole and Octopole Moments of Heteroaromatic Rings Journal of Physical Chemistry A. 103: 10009-10014.  1
1998 Doerksen RJ, Thakkar AJ. Azaborinines: Structures, vibrational frequencies, and polarizabilities Journal of Physical Chemistry A. 102: 4679-4686.  1
1996 Doerksen RJ, Thakkar AJ. Polarizabilities of heteroaromatic molecules: Azines revisited International Journal of Quantum Chemistry. 60: 1633-1642.  1
1996 El-Bakali Kassimi N, Doerksen RJ, Thakkar AJ. Polarizabilities of oxazoles: Ab initio calculations and simple models Journal of Physical Chemistry. 100: 8752-8757.  1
1995 Kassimi NEB, Doerksen RJ, Thakkar AJ. Polarizabilities of aromatic five-membered rings: Azoles Journal of Physical Chemistry. 99: 12790-12796.  1
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