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Education

  • B.S., The Pennsylvania State University, 1963
  • A.M., Harvard University, 1965
  • Ph.D., Harvard University, 1968
  • NIH Postdoctoral Fellow, Cornell University, 1967-68

Research

Gordon Research Conference on Computational Chemistry

The objective of our research is to learn about and apply relationships between structure and properties of molecules. We are interested in all sorts of molecules, but have a special interest in pharmaceutically relevant molecules.

Most medicines exert their therapeutic effect by interaction with a protein or nucleic acid. The part of the macromolecule where a particular drug binds is the receptor. A small molecule, such as a drug, that binds to a receptor is called a ligand. The interaction of ligand and receptor involves electrostatic attraction and repulsion, hydrogen bonding, and van der Waals contacts. These forces are the result of electronic distribution, steric shape, and conformational properties. Modern computer-based methods, such as molecular modeling, are well suited for predicting these molecular properties. The strength of the interactions between ligand and receptor will determine recognition and affinity. The greater the strength and the more specific the interactions, the greater the potency of the biologically active molecule and the less likely it will cause side effects.

The economics of drug discovery has led to a prominent role for computer-aided drug design (CADD) methodologies in pharmaceutical companies. The cost of bringing a new pharmaceutical from the laboratory to the patient has risen rapidly. The high cost is related to the low odds of successfully finding safe and effective new medicines: tens of thousands of compounds may be made and tested to find one with the attributes to be a significant therapeutic product. CADD helps determine which structures are more promising as drug candidates. Besides cost, there is another factor driving the increased use of CADD. The causes of disease are being unraveled at the molecular level by genomics. These experiments reveal which biomacromolecules play a role in a disease state. Computational chemistry is uniquely positioned to maximize the usefulness of this molecular-level information.

Publications & Professional Activities

A Curious Conformational Property of 2-Amino-4-thiazolyl-methoxyimino Polymers Exhibiting Activity Against HIV-1 Reverse Transcriptase.  K. A. Kill, A. C. Smith, T. Mizdalo, E. Hasan Al-Mahrouq, Nidhi, and D. B. Boyd, Struct. Chem., 23, (1, Jan.-Feb.), 137-145 (2012).  Online in 2011 DOI: 10.1007/s11224-011-9853-5.

Simple Structure-Based Approach for Predicting the Activity of Inhibitors of Beta-Secretase (BACE1) Associated with Alzheimer's Disease.  A. F. Nastase and D. B. Boyd, J. Chem. Inf. Mod., 52 (12), 3302-3307 (2012).  DOI: 10.1021/ci300331d.

The Power of Computational Chemistry to Leverage Stress Testing of Pharmaceuticals.  D. B. Boyd and T. R. Sharp, in Pharmaceutical Stress Testing: Predicting Drug Degradation, 2nd Edition, Revised and Expanded, S. W. Baertschi, K. M. Alsante, and R. A. Reed, Eds., Informa Healthcare, London and New York, 2011, Chapter 20, pp. 499-539.

D. B. Boyd "Molecular Modeling", Chapter 3, in: Ullmann's Modeling and Simulation, Wiley-VCH, Weinheim, 2007, pp. 307-322.

Donald B. Boyd "How Computational Chemistry Became Important in the Pharmaceutical Industry" in: Reviews in Computational Chemistry, K. B. Lipkowitz and T. Cundari, Eds., Wiley-VCH, New York, 2007, Vol. 23, pp. 401-451.

T. Ercanli and Donald B. Boyd "Exploration of the Conformational Space of a Polymeric Material that Inhibits Human Immunodeficiency Virus" J. Chem. Inf. Mod. 2006, 46, 1321-1333.

Donald B. Boyd and M. M. Marsh "History of Computers in Pharmaceutical Research and Development: A Narrative" in: Computer Applications in Pharmaceutical Research and Development, S. Ekins, Ed., Wiley, New York, 2006, pp. 1-50.

Donald B. Boyd "Molecular Modeling - Industrial Relevance and Applications" in: Ullmann's Encyclopedia of Industrial Chemistry, 7th edition, Wiley-VCH, Weinheim, 2006, online.

Donald B. Boyd "The Power of Computational Chemistry to Leverage Stress Testing of Pharmaceuticals" in: Understanding Drug Degradation, S. W. Baertschi, Ed., Taylor and Francis, London, U.K., 2005, Ch. 12, pp. 355-418.

P. Franchetti, L. Cappellacci, M. Pasqualini, R. Petrelli, V. Jayaprakasan, H. N. Jayaram, D. B. Boyd, M. D. Jain, and M. Grifantini "Synthesis, Conformational Analysis, and Biological Activity of New Analogues of Thiazole-4-carboxamide Adenine Dinucleotide (TAD) as IMP Dehydrogenase Inhibitors" Bioorg. Med. Chem. 2005, 13, 2045-2053.

T. Ercanli and Donald B. Boyd "Evaluation of Computational Chemistry Methods: Crystallographic and Cheminformatics Analysis of Aminothiazole Methoximes" J. Chem. Inf. Mod. 2005, 45, 591-601.

Z. Wang, G. L. Durst, R. C. Eberhart, D. B. Boyd, and Z. Ben Miled "Particle Swarm Optimization and Neural Network Application for QSAR" HiCOMP 2004 (Online Proceedings of Third IEEE International Workshop on High Performance Computational Biology, Santa Fe, New Mexico, April 26, 2004).

Donald B. Boyd, Book Review of: "Computational Medicinal Chemistry for Drug Discovery" [Patrick Bultinck, Hans De Winter, Wilfried Langenaeker, and Jan P. Tollenaere, Eds., Marcel Dekker, New York, 2004] J. Med. Chem. 2004, 47, 6433.

Professional Affiliations

  • American Chemical Society, Division of Chemical Education, Board of Publications (BoP) 2013-present
  • Program Director, National Science Foundation, Division of Undergraduate Education, 2006-2008
  • Founding Chair, New Member Committee, Division of Chemical Education, American Chemical Society, 2002-2006
  • Member, External Advisory Board, Process Oriented Guided Inquiry Learning (POGIL)
  • National Dissemination Project, 2003-2006
  • Member, 2002-present, Long Range Planning Committee, Division of CHED, American Chemical Society
  • Member, Advisory Board, International Gordon Research Conference on Science
  • Education and Visualization held at Mount Holyoke College, CT. August 5-10, 2001
  • Member, National Visiting Committee, NSF funded, Molecular Science Project, UCLA, Chemistry, 1996-2000

Honors, Awards and Grants

  • 2013 Woodward Lecturer, The Pennsylvania State University College of Medicine. Keynote lecture to be presented on April 24, 2013.
  • Sloan-C's award for effective practices in online and blended education, 2012.
  • Prestigious External Award Recognition (PEAR) Recipient, 2012
  • Member of the 2011 cohort of outstanding women to be included in the online archival exhibit, "Women Creating Excellence at IUPUI."
  • Stanley C. Israel regional award from the American Chemical Society for work in advancing diversity in the chemical sciences she recently received, 2011
  • Featured in the article "Promoting Diversity Through Conversation" Chemical and Engineering News, Volume 88, Issue 24, June 14, 2010, PP 49-52.
  • Prestigious External Award Recognition (PEAR) recipient, April 17, 2009
  • James Flack Norris Award for Outstanding Achievement in Teaching Chemistry, 2008
  • Project Kaleidoscope Delegate to the People's Republic of China, 2005
  • Teacher /Scholar Award, Saint Xavier University School of Arts and Sciences, 2002
  • American Chemical Society delegate to Havana, Cuba, 1998
  • Nominated for the Carnegie Foundation for the Advancement of Teaching, Council for the Advancement and Support of Education - US Professor of the Year Program, 2004 and 1998

Other

Editorial

Editor Emeritus, Reviews in Computational Chemistry

 

 

Career Highlights:

  • Dr. Boyd started his association with Indiana University - Purdue University - Indianapolis (IUPUI) in 1982 when he was invited to become Adjunct Professor of Chemistry in Purdue University's School of Science. At the time, Dr. Boyd was a Research Scientist in Lilly Research Laboratories, Eli Lilly and Company, Indianapolis.

     

  • Dr. Boyd's career in computer-aided drug design (CADD) at Lilly spanned 25 years. He was one of the more highly cited authors at Lilly. He was the first computational chemist at Lilly to be included on patents and is a co-inventor on several Lilly patents. His analysis of biological assay data in a large neuroscience project saved Lilly millions of dollars of inappropriately allocated resources.

     

  • Upon retiring from Lilly at the end of 1993 as a Senior Research Scientist, Dr. Boyd was appointed the first Research Professor of Chemistry at IUPUI. He has served in this position the last 20 years.

     

  • Conceived and co-founded the biennial Gordon Research Conferences on Computational Chemistry, 1986-present. He served as Co-Chairman twice. He continues to serve on the Executive Committee of the conference series.

     

  • Co-founder and co-editor of the book series Reviews in Computational Chemistry. He edited 18 volumes in 12 years 1990-2002. During his tenure as editor, the citation impact of the books rose to be among the top ten of all chemistry publications. He has served as Editor Emeritus 2003-2010.

     

  • Appointed editor of the Journal of Molecular Graphics and Modelling by the Division of Computers in Chemistry (COMP) of the American Chemical Society, 1998-2001. He served on the Executive Committee of COMP while he was editor. During Prof. Boyd's tenure as editor, the annual number of manuscripts submitted to JMGM increased from 5 to 90.

     

  • Conceived and founded the annual Symposium on Emerging Technologies in Computational Chemistry held at National Meetings of the American Chemical Society, Computers in Chemistry Division (COMP). He organized the first three of these symposia, 2000-2002.

     

  • Published over 140 refereed journal papers and book chapters.

     

  • Served as reviewer for over 80 journals and organizations.

     

  • Served on the editorial boards of the Journal of Medicinal Chemistry, Structural Chemistry, and the Journal of Molecular Graphics and Modelling.

     

  • Based on his in-depth experience as author, editor, and reviewer, he has provided consultation to other authors with his Chemistry Editing Service since 1994.

     

  • Consultant to the pharmaceutical and chemical industries and to educational institutions.

     

  • Has been listed in Who's Who and other professional directories.

     

  • Set an example for the IUPUI Department of Chemistry and Chemical Biology to take on three additional Lilly retired scientists as research professors.

     

  • Received the Spirit of Philanthropy Award from IUPUI in 1996 and was named to the Presidents Circle of Indiana University in 2011.

     

  • Organizer of the annual Central Indiana Computational Chemistry Christmas Luncheons (CICCCL).

 


Recent students of Professor Boyd:
  • Tulay Ercanli
  • Nidhi
  • Emaa Hasan Al-Mahrouq
  • Angela Christine Smith
  • Tina Mizdalo
  • Karolina A. Kill
  • Fuwang Xu
  • Matthew J. Ketterer
  • Josh N. Wilson
  • Derik J. Wittenberg
  • Joyce Smith
  • Anthony F. Nastase
  • Kyle Klene

Former students obtained jobs at Lilly, Pfizer, Universidad Autonoma de Madrid, Cerep, Kelco, Accelrys, Amgen, and Stepan Company. Others went on to business or graduate school.

 


Selected Publications:

For selected articles and book chapters listed below, hypertext is linked to graphics representative of the contents of each publication. The most recent publications are listed first.

2013

  • Donald B. Boyd, Quantum Chemistry Program Exchange, Facilitator of Theoretical and Computational Chemistry in Pre-Internet History. In: Pioneers of Quantum Chemistry, E. T. Strom and A. Wilson, Eds., ACS Books Symposium Series 1122, Washington DC, 2013, Chapter 8, pp. 221-273. DOI: 10.1021/bk-2013-1122.ch008.

2012

  • A. F. Nastase and Donald B. Boyd, Simple Structure-Based Approach for Predicting the Activity of Inhibitors of Beta-Secretase (BACE1) Associated with Alzheimer's Disease. J. Chem. Inf. Mod., 52, 3302-3307. DOI: 10.1021/ci300331d.

2011

  • Donald B. Boyd and T. R. Sharp, The Power of Computational Chemistry to Leverage Stress Testing of Pharmaceuticals. In: Pharmaceutical Stress Testing: Predicting Drug Degradation, 2nd Edition, Revised and Expanded, S. W. Baertschi, K. M. Alsante, and R. A. Reed, Eds., Informa Healthcare, London and New York, 2011, Chapter 20, pp. 499-539.

2010

  • Donald B. Boyd, Prospects for Career Opportunities in Computational Chemistry. In: Reviews in Computational Chemistry, K. B. Lipkowitz and T. Cundari, Eds., Wiley-VCH, Hoboken, NJ, 2010, Vol. 27, pp. 369-394.

2007

  • Donald B. Boyd, How Computational Chemistry Became Important in the Pharmaceutical Industry. In: Reviews in Computational Chemistry, K. B. Lipkowitz and T. Cundari, Eds., Wiley-VCH, New York, 2007, Vol. 23, pp. 401-451.

2006

  • T. Ercanli and Donald B. Boyd, Exploration of the Conformational Space of a Polymeric Material that Inhibits Human Immunodeficiency Virus. J. Chem. Inf. Mod., 46, 1321-1333 (2006).
  • Donald B. Boyd and M. M. Marsh, History of Computers in Pharmaceutical Research and Development: A Narrative. In: Computer Applications in Pharmaceutical Research and Development, S. Ekins, Ed., Wiley, New York, 2006, pp. 1-50.
  • Donald B. Boyd, Molecular Modeling - Industrial Relevance and Applications. In: Ullmann's Encyclopedia of Industrial Chemistry, 7th edition, Wiley-VCH, Weinheim, 2006, online.

2005

  • Donald B. Boyd, The Power of Computational Chemistry to Leverage Stress Testing of Pharmaceuticals, in Understanding Drug Degradation, S.W. Baertschi, Ed., Taylor and Francis, London, U.K., 2005, Ch. 12, pp. 355-418.
  • P. Franchetti, L. Cappellacci, M. Pasqualini, R. Petrelli, V. Jayaprakasan, H.N. Jayaram, Donald B. Boyd, M.D. Jain, and M. Grifantini, Synthesis, Conformational Analysis, and Biological Activity of New Analogues of Thiazole-4-carboxamide Adenine Dinucleotide (TAD) as IMP Dehydrogenase Inhibitors. Bioorg. Med. Chem., 13, 2045-2053 (2005).
  • T. Ercanli and Donald B. Boyd, Evaluation of Computational Chemistry Methods: Crystallographic and Cheminformatics Analysis of Aminothiazole Methoximes. J. Chem. Inf. Mod., 45, 591-601 (2005).

2004

  • Z. Wang, G.L. Durst, R.C. Eberhart, Donald B. Boyd, and Z. Ben Miled, Particle Swarm Optimization and Neural Network Application for QSAR, HiCOMP 2004 (Online Proceedings of Third IEEE International Workshop on High Performance Computational Biology, Santa Fe, New Mexico, April 26, 2004).
  • Donald B. Boyd, Book Review of "Computational Medicinal Chemistry for Drug Discovery", Patrick Bultinck, Hans De Winter, Wilfried Langenaeker, and Jan P. Tollenaere, Eds., Marcel Dekker, New York, 2004. J. Med. Chem., 47 (25), 6433 (2004).

2003

  • Donald B. Boyd, Book Review of "Bioinformatics - From Genomes to Drugs", Thomas A. Lengauer, Ed., Wiley-VCH, Weinheim, 2002. J. Med. Chem., 46 (11), 2258-2259 (2003).

2002

  • Donald B. Boyd and K.B. Lipkowitz, Examination of the Employment Environment for Computational Chemistry. In Reviews in Computational Chemistry, K.B. Lipkowitz and Donald B. Boyd, Eds., Wiley-VCH, New York, 2002, Vol. 18, pp. 293-319, Appendix.
  • Donald B. Boyd and R.D. Clark, Introduction and Foreword to the Special Section on the ACS COMP Symposium on QSAR in vivo. J. Mol. Graphics Modell., 20 (4), 257-258 (2002).

2001

  • E. Galvez-Ruano, I. Iriepa-Canalda, A. Morreale, and Donald B. Boyd, Superimposition-Based Protocol as a Tool for Determining Bioactive Conformations. I. Application to Ligands of the Glycinergic Receptor (GlyR). J. Mol. Graphics Modell., 19 (3-4), 331-337 (2001).
  • E. Galvez-Ruano, I. Iriepa-Canalda, A. Morreale, and Donald B. Boyd, Superimposition-Based Protocol as a Tool for Determining Bioactive Conformations. II. Application to the GABAA Receptor. J. Mol. Graphics Modell., 20 (2), 183-197 (2001).
  • K.B. Lipkowitz and Donald B. Boyd, Books Published on the Topics of Computational Chemistry. In Reviews in Computational Chemistry, K.B. Lipkowitz and Donald B. Boyd, Eds., Wiley-VCH, New York, 2001, Vol. 17, pp. 255-357, Appendix.
  • F. Barbosa and Donald B. Boyd, Book Review of "Evolutionary Algorithms in Molecular Design", David E. Clark, Ed., Wiley-VCH, Weinheim, 2000. J. Am. Chem. Soc., 123 (22), 5384 (2001).
  • Donald B. Boyd, L.A. Kuhn, and M.F. Thorpe, Introduction and Foreword to the Special Issue on Computational Protein Flexibility and Folding. J. Mol. Graphics Modell., 19 (1), 1-2 (2001).
  • Donald B. Boyd and Z. Slanina, Introduction and Foreword to the Special Issue on Commemorating the Thirtieth Anniversary of Eiji Osawa's C60 Paper. J. Mol. Graphics Modell., 19 (2), 181-104 (2001).
  • Donald B. Boyd and D.A. Winkler, Introduction and Foreword to the Special Issue on Computational Drug Design and Informatics. J. Mol. Graphics Modell., 19 (5), 403-404 (2001).
  • Donald B. Boyd, A New Beginning for the Journal. J. Mol. Graphics Modell., 19 (6), 479-480 (2001).
  • T.R. Stouch, B.R. Brooks, W.C. Swope, J.D. Madura, K.N. Houk, J. McKelvey, W.L. Jorgensen, K.B. Lipkowitz, and Donald B. Boyd, A Letter to the Community of Computational Chemists: The Gordon Research Conferences on Computational Chemistry. J. Mol. Graphics Modell., 19 (6), 617 (2001).
  • Donald B. Boyd, L.H. Hall, and L.B. Kier, Introduction and Foreword to the Special Issue Commemorating the 25th Anniversary of Molecular Connectivity as a Structure Description System. J. Mol. Graphics Modell., 20 (1), 1-3 (2001).

2000

  • Donald B. Boyd, Beta-Lactam Antibacterial Agents: Computational Chemistry Investigations. In The Amide Linkage: Structural Significance In Chemistry, Biochemistry, and Materials Science, A. Greenberg, C.M. Breneman, and J.F. Liebman, Eds., John Wiley & Sons, New York, 2000, Chapter 11, pp. 337-375.
  • Donald B. Boyd and K.B. Lipkowitz, History of the Gordon Research Conferences on Computational Chemistry. In Reviews in Computational Chemistry, K.B. Lipkowitz and Donald B. Boyd, Eds., Wiley-VCH, New York, 2000, Vol. 14, pp. 399-439.
  • Donald B. Boyd and J.R. Grigera, Introduction and Foreword to the Special Issue on Molecular Modeling of Carbohydrates. J. Mol. Graphics Modell., 18 (2), 93-94 (2000).
  • Donald B. Boyd and R.E. Hubbard, A Thank You to Those Who Have Refereed Papers for the Journal. J. Mol. Graphics Modell., 18 (3), 233-234 (2000).
  • Donald B. Boyd, D.K. Agrafiotis, and E.J. Martin, Introduction and Foreword to the Special Issue on Combinatorial Library Design. J. Mol. Graphics Modell., 18 (4/5), 317-319 (2000).
  • Donald B. Boyd, Book Review of "Chemical Applications of Molecular Modelling", Jonathan M. Goodman, Royal Society of Chemistry, Cambridge, 1998. J. Mol. Graphics Modell., 18 (4/5), 545-546 (2000).
  • Donald B. Boyd, ISI Rankings of Chemistry Journals. J. Mol. Graphics Modell., 18 (6), 620 (2000).

1999

  • Donald B. Boyd, Is Rational Design Good for Anything? In Rational Drug Design: Novel Methodology and Practical Applications, A. L. Parrill and M. R. Reddy, Eds., ACS Symp. Series 719, American Chemical Society, Washington, DC, 1999, Chapter 22, pp. 346-356.
  • Donald B. Boyd, Book Review of "Molecular Modeling of Nucleic Acids", Neocles B. Leontis and John SantaLucia, Jr., Eds., ACS Symposium Series 682, American Chemical Society, Washington, DC, 1998. J. Med. Chem., 42 (15), 3009 (1999).
  • Donald B. Boyd, Quantum Chemistry Program Exchange, QCPE: End of an Era or a New Chapter? J. Mol. Graphics Modell., 17 (1), 62-64 (1999).
  • Donald B. Boyd, Book Review of "Molecular Modeling on the PC", Matthew F. Schlecht, Wiley-VCH, New York, 1998. J. Mol. Graphics Modell., 17 (1), 70-71 (1999).
  • Donald B. Boyd, Book Review of "Advances in Quantitative Structure-Property Relationships", Marvin Charton and Barbara I. Charton, Eds., JAI Press, Stamford, Connecticut, 1999. J. Mol. Graphics Modell., 17 (3-4), 231-234 (1999).

1998

  • Donald B. Boyd, Progress in Rational Design of Therapeutically Interesting Compounds. In Rational Molecular Design in Drug Research, T. Liljefors, F.S. Jorgensen, and P. Krogsgaard-Larsen, Eds., Munksgaard, Copenhagen, 1998, pp. 15-23.
  • Donald B. Boyd, Innovation and the Rational Design of Drugs. CHEMTECH, 28 (5), 19-23 (1998).
  • A. Morreale, E. Galvez-Ruano, I. Iriepa-Canalda, and Donald B. Boyd, Arylpiperazines with Serotonin-3 Antagonist Activity: A Comparative Molecular Field Analysis. J. Med. Chem., 41 (12), 2029-2039 (1998).
  • Donald B. Boyd, Molecular Modeling - Industrial Relevance and Applications. In Ullmann's Encyclopedia of Industrial Chemistry, Wiley-VCH, Weinheim, 1998, 6th Edition.
  • Donald B. Boyd, Drug Design. In Encyclopedia of Computational Chemistry, P.v.R. Schleyer, N.L. Allinger, T. Clark, J. Gasteiger, P. Kollman, and H.F. Schaefer III, Eds., John Wiley and Sons, Chichester, 1998, Vol. 1, pp. 795-804.
  • Donald B. Boyd, Rational Drug Design: Controlling the Size of the Haystack. Modern Drug Discovery, November/December, 1998, pp. 41-48.
  • Donald B. Boyd, Book Review of "Online Searching: A Scientist's Perspective. A Guide for the Chemical and Life Sciences", by Damon D. Ridley (University of Sydney), Wiley, New York, 1996. J. Am. Chem. Soc., 120 (1), 240-241 (1998).
  • R.E. Hubbard and Donald B. Boyd, Reinvention of the Journal of Molecular Graphics and Modelling: Defining a Discipline. J. Mol. Graphics Modell., 16 (3), 113-114 (1998).
  • R.E. Hubbard and Donald B. Boyd, Reinvention of the Journal of Molecular Graphics and Modelling: News and Views. J. Mol. Graphics Modell., 16 (4/5/6), 177 (1998).

1997

  • S.W. Baertschi, A.S. Cantrell, M.T. Kuhfeld, L.J. Lorenz, Donald B. Boyd, and S.R. Jaskunas, Inhibition of Human Immunodeficiency Virus Type 1 Reverse Transcriptase by Degradation Products of Ceftazidime. Antiviral Chem. Chemother., 8, 353-362 (1997).
  • Donald B. Boyd, Evidence that There Is a Future for Semiempirical Calculations. J. Mol. Struct.: THEOCHEM, 401, 219-225 (1997).
  • Donald B. Boyd, On the Rhodanines and Their Presence in Biologically Active Ligands. J. Mol. Struct.: THEOCHEM, 401, 227-334 (1997).
  • Donald B. Boyd, Compendium of Software and Internet Tools for Computational Chemistry. In Reviews in Computational Chemistry, K.B. Lipkowitz and Donald B. Boyd, Eds., Wiley-VCH, New York, 1997, Vol. 11, Appendix, pp. 373-399.

1996

  • R.J. Loncharich, J.S. Nissen, and Donald B. Boyd, Molecular Orbital Study of the Structure and Interactions of Ylidene Rhodanines. Structural Chemistry, 7, 37-49 (1996).
  • Donald B. Boyd and R.D. Coner, Stochastic Approach to Force Field Evaluations: Conformational Analysis of Raloxifene, a Potential New Therapeutic Agent for Post-menopausal Osteoporosis. J. Mol. Struct.: THEOCHEM, 368, 7-15 (1996).

1995

  • Donald B. Boyd, A.D. Palkowitz, K.J. Thrasher, K.L. Hauser, C.A. Whitesitt, J.K. Reel, R.L. Simon, W. Pfeifer, S.L. Lifer, K. Takeuchi, V. Vasudevan, J.B. Deeter, M.I. Steinberg, K.M. Zimmerman, S.A. Wiest, and W.S. Marshall, Molecular Modeling and QSAR Studies in Pursuit of Highly Potent Substituted Octanoamide Angiotensin II Receptor Antagonists. In Computer-Aided Molecular Design: Applications in Agrochemicals, Materials, and Pharmaceuticals, C.H. Reynolds, M.K. Holloway, and H.K. Cox, Eds., American Chemical Society, Washington, DC, 1995, pp. 14-35.
  • A.D. Palkowitz, M.I. Steinberg, K.M. Zimmerman, K.J. Thrasher, K.L. Hauser, and Donald B. Boyd, Synthesis and Pharmacological Evaluation of a Novel Series of 5-Aryl Benzimidazole Angiotensin II Receptor Antagonists. Bioorg. Med. Chem. Lett., 5, 1015-1020 (1995).
  • Donald B. Boyd, Molecular Modeling Software in Use: Publication Trends. In Reviews in Computational Chemistry, K.B. Lipkowitz and Donald B. Boyd, Eds., VCH Publishers, New York, 1995, Vol. 6, pp. 317-354.
  • Donald B. Boyd, Appendix: Compendium of Software for Molecular Modeling. In Reviews in Computational Chemistry, K.B. Lipkowitz and Donald B. Boyd, Eds., VCH Publishers, New York, 1995, Vol. 7, pp. 303-380.
  • Donald B. Boyd, Computer-Aided Molecular Design. In Encyclopedia of Computer Science and Technology, Vol. 33, A. Kent and J.G. Williams, Eds., Marcel Dekker, New York, 1995, pp. 41-71.
  • Donald B. Boyd, A Tool for Negotiating through Structure-Activity Relationship Space: The Hypersurface Iterative Projection Method. In Proceedings of the First Electronic Computational Chemistry Conference (ECCC), S.M. Bachrach, Donald B. Boyd, S.K. Gray, W.L. Hase, and H.S. Rzepa, Eds., ARInternet Corporation, Landover, MD, 1995.

1994

  • L.M. Balbes, S.W. Mascarella, and Donald B. Boyd, A Perspective of Modern Methods in Computer-Aided Drug Design. In Reviews in Computational Chemistry, K.B. Lipkowitz and Donald B. Boyd, Eds., VCH Publishers, New York, 1994, Vol. 5, pp. 337-379.
  • M.I. Steinberg, A.D. Palkowitz, K.J. Thrasher, J.K. Reel, K.M. Zimmerman, C.A. Whitesitt, R.L. Simon, K.L. Hauser, S.L. Lifer, W. Pfeifer, K. Takeuchi, S.A. Wiest, V. Vasudevan, K.G. Bemis, J.B. Deeter, C.J. Barnett, T.M. Wilson, W.S. Marshall, and Donald B. Boyd, Chiral Recognition of the Angiotensin II (AT1) Receptor by a Highly Potent Phenoxyproline Octanoamide. Bioorg. Med. Chem. Lett., 4, 51-56 (1994).
  • A.D. Palkowitz, M.I. Steinberg, K.J. Thrasher, J.K. Reel, K.L. Hauser, K.M. Zimmerman, S.A. Wiest, C.A. Whitesitt, R.L. Simon, W. Pfeifer, S.L. Lifer, Donald B. Boyd, C.J. Barnett, T.M. Wilson, J.B. Deeter, K. Takeuchi, R.E. Riley, W.D. Miller, and W.S. Marshall, Structural Evolution and Pharmacology of a Novel Series of Triacid Angiotensin II Receptor Antagonists. J. Med. Chem., 37, 4508-4521 (1994).

1993

  • Donald B. Boyd, Application of the Hypersurface Iterative Projection Method to Bicyclic Pyrazolidinone Antibacterial Agents. J. Med. Chem., 36, 1443-1449 (1993).
  • H.-S. Lin, A.A. Rampersaud, K. Zimmerman, M.I. Steinberg, and Donald B. Boyd, Synthesis and in Vitro Evaluation of N-[[4-[2-(Carboxyl)-1-cycloalken-1-yl]phenyl]methyl]imidazoles as Nonpeptide Angiotensin II Receptor Antagonists. J. Chin. Chem. Soc. (Taipei), 40, 273-282 (1993).
  • Donald B. Boyd and S.A.F. Milosevich, Supercomputing and Drug Discovery Research. Perspectives in Drug Discovery and Design, 1, 345-358 (1993).

1992

  • Donald B. Boyd and J.D. Snoddy, Insight into Lactam Antibiotics and Their Receptors from Computational Chemistry. In Molecular Aspects of Chemotherapy, D. Shugar, W. Rode, and E. Borowski, Eds., Springer-Verlag, New York, 1992, pp. 1-22.
  • D.W. Robertson and Donald B. Boyd, Structural Requirements for Potent and Selective Inhibition of Low Km, Cyclic-AMP-Specific Phosphodiesterases. In The Biology of Cyclic Nucleotide Phosphodiesterases, Advances in Second Messenger and Phosphoprotein Research, S.J. Strada and H. Hidaka, Eds., Raven Press, New York, 1992, Vol. 25, Chapter 23, pp. 321-340.

1991

  • Donald B. Boyd, J.D. Snoddy, and H.-S. Lin, Molecular Simulations of DD-Peptidase, a Model Beta-Lactam-Binding Protein: Synergy between X-Ray Crystallography and Computational Chemistry. J. Comput. Chem., 12, 635-644 (1991).
  • L.J. Jungheim, Donald B. Boyd, J.M. Indelicato, C.E. Pasini, D.A. Preston, and W.E. Alborn Jr., Synthesis, Hydrolysis Rates, Supercomputer Modeling, and Antibacterial Activity of Bicyclic Tetrahydropyridazinones. J. Med. Chem., 34, 1732-1739 (1991).
  • Donald B. Boyd and C.M. Seward, The Substituent Parameter Database: A Powerful Tool for QSAR Analysis. In QSAR: Rational Approaches to the Design of Bioactive Compounds, C. Silipo and A. Vittoria, Eds., Pharmacochemistry Library Series, Vol. 16, Elsevier, Amsterdam, 1991, pp. 167-170.
  • Donald B. Boyd, The Computational Chemistry Literature. In Reviews in Computational Chemistry, K.B. Lipkowitz and Donald B. Boyd, Eds., VCH Publishers, New York, 1991, Vol. 2, Chapter 11, pp. 461-479.
  • Donald B. Boyd, Compendium of Software for Molecular Modeling. In Reviews in Computational Chemistry, K.B. Lipkowitz and Donald B. Boyd, Eds., VCH Publishers, New York, 1991, Vol. 2, Appendix, pp. 481-497.

1990

  • Donald B. Boyd, Aspects of Molecular Modeling. In Reviews in Computational Chemistry, K.B. Lipkowitz and Donald B. Boyd, Eds., VCH Publishers, New York, 1990, Chapter 9, Vol. 1, pp. 321-354.
  • Donald B. Boyd, Successes of Computer-Assisted Molecular Design. In Reviews in Computational Chemistry, K.B. Lipkowitz and Donald B. Boyd, Eds., VCH Publishers, New York, 1990, Vol. 1, Chapter 10, pp. 355-371.