David Deerfield - Publications

Affiliations: 
Chemistry University of North Carolina, Chapel Hill, Chapel Hill, NC 

25 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
2007 Wymore T, Deerfield DW, Hempel J. Mechanistic implications of the cysteine-nicotinamide adduct in aldehyde dehydrogenase based on quantum mechanical/molecular mechanical simulations Biochemistry. 46: 9495-9506. PMID 17655326 DOI: 10.1021/Bi700555G  1
2007 Davis CH, Ii DD, Stafford DW, Pedersen LG. Quantum chemical study of the mechanism of action of vitamin K carboxylase (VKC). IV. Intermediates and transition states. The Journal of Physical Chemistry. A. 111: 7257-61. PMID 17503787 DOI: 10.1021/Jp068564Y  1
2007 Davis CH, Deerfield D, Wymore T, Stafford DW, Pedersen LG. A quantum chemical study of the mechanism of action of Vitamin K epoxide reductase (VKOR) II. Transition states. Journal of Molecular Graphics & Modelling. 26: 401-8. PMID 17182266 DOI: 10.1016/J.Jmgm.2006.10.005  1
2007 Davis CH, Deerfield D, Wymore T, Stafford DW, Pedersen LG. A quantum chemical study of the mechanism of action of Vitamin K carboxylase (VKC) III. Intermediates and transition states. Journal of Molecular Graphics & Modelling. 26: 409-14. PMID 17182265 DOI: 10.1016/J.Jmgm.2006.10.006  1
2006 Deerfield D, Davis CH, Wymore T, Stafford DW, Pedersen LG. Quantum chemical study of the mechanism of action of Vitamin K Epoxide Reductase (VKOR) International Journal of Quantum Chemistry. 106: 2944-2952. DOI: 10.1002/Qua.21119  1
2004 Ropelewski AJ, Nicholas HB, Deerfield DW. Mathematically complete nucleotide and protein sequence searching using Ssearch. Current Protocols in Bioinformatics. Unit3.10. PMID 18428720 DOI: 10.1002/0471250953.bi0310s04  0.6
2004 Wymore T, Hempel J, Cho SS, Mackerell AD, Nicholas HB, Deerfield DW. Molecular recognition of aldehydes by aldehyde dehydrogenase and mechanism of nucleophile activation. Proteins. 57: 758-71. PMID 15390260 DOI: 10.1002/Prot.20256  1
2003 Wymore T, Deerfield DW, Field MJ, Hempel J, Nicholas HB. Initial catalytic events in class 3 aldehyde dehydrogenase: MM and QM/MM simulations. Chemico-Biological Interactions. 143: 75-84. PMID 12604191 DOI: 10.1016/S0009-2797(02)00175-8  0.88
2002 Nicholas HB, Ropelewski AJ, Deerfield DW. Strategies for multiple sequence alignment. Biotechniques. 32: 572-4, 576, 578 pass. PMID 11911661  0.6
1997 Crowley MF, Darden TA, Cheatham TE, Deerfield DW. Adventures in Improving the Scaling and Accuracy of a Parallel Molecular Dynamics Program Journal of Supercomputing. 11: 255-278. DOI: 10.1023/A:1007907925007  1
1995 Cabaniss S, Deerfield DW, Monroe DM, Hiskey RG, Pedersen LG. Is Ca(II) ion binding to prothrombin fragment 1 intrinsically cooperative, or is the cooperative binding accounted for by self-association? Blood Coagulation & Fibrinolysis : An International Journal in Haemostasis and Thrombosis. 6: 464-73. PMID 8589215  1
1993 Shuey SW, Deerfield DW, Amburgey JC, Cabaniss SE, Huh NW, Charifson PS, Pedersen LG, Hiskey RG. Cyclohexanediol bisphosphates as models for phospholipid-metal ion binding sites Bioorganic Chemistry. 21: 95-108. DOI: 10.1006/Bioo.1993.1011  1
1991 Smith PR, Ropelewski AJ, Balog DA, Gottesman S, Deerfield DW. A simple approach for the distribution of computationally intense tasks in an heterogeneous environment: distribution of the MDPP image-processing package. Computer Applications in the Biosciences : Cabios. 7: 501-7. PMID 1747783 DOI: 10.1093/bioinformatics/7.4.501  1
1991 Deerfield DW, Fox DJ, Head-Gordon M, Hiskey RG, Pedersen LG. Interaction of Calcium and Magnesium Ions with Malonate and the Role of the Waters of Hydration: A Quantum Mechanical Study Journal of the American Chemical Society. 113: 1892-1899. DOI: 10.1021/Ja00006A004  1
1990 Cain JD, Deerfield DW, Hiskey RG, Pedersen LG. Divalent metal ion mediated interaction of proteins with negatively charged membranes. A model study employing molecular mechanics. International Journal of Peptide and Protein Research. 35: 111-6. PMID 2323886 DOI: 10.1111/J.1399-3011.1990.Tb00244.X  1
1990 Lapadat MA, Deerfield DW, Pedersen LG, Spremulli LL. Generation of potential structures for the G-domain of chloroplast EF-Tu using comparative molecular modeling. Proteins. 8: 237-50. PMID 2281086 DOI: 10.1002/Prot.340080306  1
1989 Deerfield DW, Lapadat MA, Spremulli LL, Hiskey RG, Pedersen LG. The role of hydrated divalent metal ions in the bridging of two anionic groups. An ab initio quantum chemical and molecular mechanics study of dimethyl phosphate and formate bridged by calcium and magnesium ions. Journal of Biomolecular Structure & Dynamics. 6: 1077-91. PMID 2818858 DOI: 10.1080/07391102.1989.10506538  1
1989 Deerfield DW, Nicholas HB, Hiskey RG, Pedersen LG. Salt or ion bridges in biological systems: a study employing quantum and molecular mechanics. Proteins. 6: 168-92. PMID 2622904 DOI: 10.1002/Prot.340060207  1
1988 Maynard AT, Eastman MA, Darden T, Deerfield DW, Hiskey RG, Pedersen L. Effect of calcium (II) and magnesium (II) ions on the 18-23 gamma-carboxyglutamic acid containing cyclic peptide loop of bovine prothrombin. An AMBER molecular mechanics study. International Journal of Peptide and Protein Research. 31: 137-49. PMID 3366547 DOI: 10.1111/J.1399-3011.1988.Tb00016.X  1
1987 Deerfield DW, Olson DL, Berkowitz P, Koehler KA, Pedersen LG, Hiskey RG. Relative affinity of Ca(II) and Mg(II) ions for human and bovine prothrombin and fragment 1. Biochemical and Biophysical Research Communications. 144: 520-7. PMID 3579923 DOI: 10.1016/S0006-291X(87)80540-5  1
1987 Olson DL, Deerfield DW, Berkowitz P, Hiskey RG, Pedersen LG. Determination of magnesium binding to macromolecules. Analytical Biochemistry. 160: 468-70. PMID 3578772 DOI: 10.1016/0003-2697(87)90077-7  1
1986 Hoke RA, Deerfield DW, Pedersen LG, Koehler KA, Hiskey RG. Synthesis of a gamma-carboxyglutamic acid containing heptapeptide corresponding to bovine prothrombin residues 17-23. International Journal of Peptide and Protein Research. 28: 569-78. PMID 3818174 DOI: 10.1111/J.1399-3011.1986.Tb03294.X  0.68
1986 Deerfield DW, Hoke RA, Pedersen LG, Darden T, Hiskey RG. Relative spectral response as a function of sequential ligand binding. Biochemical and Biophysical Research Communications. 141: 1207-12. PMID 3814120 DOI: 10.1016/S0006-291X(86)80173-5  1
1986 Marsh HC, Hoke RA, Deerfield DW, Pedersen LG, Hiskey RG, Koehler KA. Terbium ion binding to a synthetic γ-carboxyglutamic acid containing heptapeptide corresponding to bovine prothrombin residues 17-23 Inorganic Chemistry. 25: 4503-4506.  1
1981 Dixon DA, Deerfield D, Graham GD. The electronic structure of dodecahedrane and the nature of the central cavity Chemical Physics Letters. 78: 161-164. DOI: 10.1016/0009-2614(81)85576-5  1
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