Credentials of the Director
Osman F. Güner
Employment History
List of Publications
List of Abstracts and Presentations
Teaching Experience
Professional Affiliations
Professional Activities
Other Activities
(39.)        Clement, O.; Güner, O. F.  “Use of Pharmacophores in Predictive ADME,”  Pharmacokinetic
Profiling in Drug Research, Testa, B.; Krämer, S.D.; Wunderli-Allenspach, H.: Folkers, G. Eds., Wiley VCH,

(38.)        Clement, O.; Güner, O. F.  “Possibilities for transfer of relevant data without revealing structural
 J. Comput.-Aid. Molec. Des. 2005, 19(9-10), 731-738

(37.)        Güner, O. F.  “The impact of pharmacophores in drug design,”  
IDrugs 2005, 8(7), 567-572

(36.)        Lim-Wilby, M. S. L.; Lyons, T. A.; Dooley, M.; Goupil-Lamy, A.; Patel, S.; Schneider, C.; Hoffmann,
R,; Bertrand, H.- O.; Güner, O. F.  “Classification of Ligand-Receptor Complexes based on receptor-
binding site characteristics,” Virtual Screening in Drug Discovery, Alvarez, J. C., Shoichet, B. Eds., Marcel
Dekker, Inc., New York,
2005, 279-299.

(35.)        Clement, O.; Güner, O. F.  “Effective Use of Pharmacophores in Computer-Aided Drug Design:  
Some Recent Examples,”
EuroQSAR 2004 Proceedings, Eds E. Aki (Sener) and I. Yalcin, Ankara, Turkey,
2005, pp 353-355.

(34.)        Güner, O. F.; Clement, O.; Kurogi, Y. “Pharmacophore Modeling and Three-Dimensional
Database Seraching for Drug Design Using Catalyst:  Recent Advances,”
Curr. Med. Chem., 2004, 11,

(33).        Vaschetto, M.; Weissbrot, T.; Bodle, D.; Güner, O. F. "Enabling high-throughput discovery,”
Op. in Drug Disc. Dev.
2003, 6(3), 377-383.

(32).        Güner, O. F. "History and Evolution of the Pharmacophore Concept in Computer-Aided Drug
Curr. Top. in Med. Chem. 2002, 2, 1321-1332.

(31).        Fisher, L. S., and Güner, O. F. "Seeking Novel Leads through Structure-Based Pharmacophore
J. Braz. Chem. Soc. 2002, 13(6), 777-787.

(30).        Kurogi, Y, and Güner, O. F. "Pharmacophore Modeling and Three-Dimensional Database
Searching for Drug Design Using Catalyst,” in
Current Medicinal Chemistry, 2001, 8(9), 1035-1055.

(29).        Sutter, J. S.; Güner, O. F.; Hoffmann, R.; Waldman, M.; Li. H.  "Effects of Variable Weights and
Tolerances in Predictive Model Generation” in Pharmacophore Perception, Development, and Use for
Drug Design, Güner, O. F. (Ed.), International University Line,
2000, 499-511.

(28).        Ozkabak, A. G.; Miller, M. A.; Henry, D. R.; Güner, O. F.  "Development and Optimization of Property-
Based Pharmacophores” in Pharmacophore Perception, Development, and Use for Drug Design, Güner,
O. F. (Ed.), International University Line,
2000, 472-494.

(27).        Güner, O. F.  "Manual Pharmacophore Generation: Visual Pattern Recognition” in
Pharmacophore Perception, Development, and Use for Drug Design, Güner, O. F. (Ed.), International
University Line,
2000, 17-22.

(26).        Güner, O. F. Waldman, M.; Hoffmann, R.; Kim, J-H.  "Strategies in Database Mining and
Pharmacophore Development” in Pharmacophore Perception, Development, and Use for Drug Design,
Güner, O. F. (Ed.), International University Line,
2000, 213-232.

(25).        Güner, O. F. and Henry, D. R. "Metrics for Analyzing Hit Lists and Pharmacophores” in
Pharmacophore Perception, Development, and Use for Drug Design, Güner, O. F. (Ed.), International
University Line,
2000, 193-211.

(24).        Güner, O. F. and Casher, O. "Role of the Internet in Cheminformatics: Recent Developments” in
Current Opinion in Drug Discovery and Development, Brown, F. and Gund, P. (Eds.);
1999, 2(3), 204-208.

(23).        Güner, O. F. and Henry, D. R. "3D Structure Searching” in The Encyclopedia of Computational
Chemistry, Schleyer, P. v. R.; Allinger, N. L., Clark, T.; Gasteiger, J.; Kollman, P. A.; Schaefer III, H. F.;
Schreiner, P. R. (Eds.); John Wiley & Sons: Chichester,
1998, vol 5, pp. 2988-3003.

(22).        Güner, O. F.; Hempel, J. C.; Lie, G. C.  "Computer-Aided Design of Non-Peptide Endothelin
Antagonists." The Collection of Theses, China International Symposium on Biotechnology and
Pharmaceutical Industry, June 25-28,
1996; pp 545-547.

(21).        Hempel, J. C; Cordova, T. S.; Güner, O. F.; Hassan, M.; Koerber, S. C.; Vorpagel, E. R.  
"Pharmacophore Hypotheses and Peptidomimetic Design Strategies: Endothelin ETA Antagonists.”  
J. Med. Chem.  
1995, 30, 391s-395s.

(20).        Henry, D. R.; Güner, O. F  "Techniques for Searching Databases of Three-Dimensional (3D)
Structures with Receptor-Based Queries."  Electronic Conference on Trends in Organic Chemistry
(ECTOC-1), Eds. H. S. Rzepa and J. G. Goodman (CD-ROM), Royal Society of Chemistry publications,
1995.  see also

(19).        Güner, O. F.; Henry, D. R.; Moock, T. E.; Pearlman, R. S.  "Flexible Queries in 3D Searching.  2.  
Techniques in 3D Query Formulation."  
Tetrahedron Comput. Meth. 1990, 3(6C), 557.

(18).        Güner, O. F.; Henry, D. R.; Pearlman, R. S.  "Use of Flexible Queries for Searching
Conformationally Flexible Molecules in Databases of Three-Dimensional Structures."  
J. Chem. Inf.
Comput. Sci.
1992, 32,109-115.

(17).        Güner, O. F.; Hughes, D. W.; Dumont, L. M.  "An Integrated Approach to Three-Dimensional
Information Management with MACCS-3D."  
J. Chem. Inf. Comput. Sci. 1991, 31, 408-414.

(16).        Güner, O. F.; Dumont, L. M.  "3D Searching in Computer-Aided Drug Design."  Pharmaceutical
Manufacturers International 1991, Barber, M.S., Barnacal, P.A., Eds; Sterling Publications: London
pp 65-68.

(15).        Lammertsma, K.; Güner, O. F.; Sudhakar, P. V.  "Rhombic C4.  Does it Contain the Shortest Non-
bonding C-C Distance?"
 J. Chem. Phys. 1991, 94(12), 8105-8111.

(14).        Christie, B. D.; Henry, D. R.; Güner, O. F.; Moock, T. E.  "MACCS-3D: a Tool for Three-
Dimensional Drug Design."  Online Information 90, 14th International Online Information Meeting
Proceedings, Raitt, D. I. Ed.;
1990, Learned Information, Oxford; pp 137-161.

(13).        Güner, O. F.; Lammertsma, K.  "Structural and Electronic Properties of the Tetraatomic B2Be2
J. Am. Chem. Soc. 1990, 112, 508.

(12).        Güner, O. F.; Lammertsma, K.; Alston, P. V.; Ottenbrite, R. M.; Shillady, D. D.  "Theoretical
Evaluation of Epimerization in Diels-Alder Cycloadducts."  
J. Org. Chem. 1990, 55, 28.

(11).        Lammertsma, K.; Güner, O. F.; Thibodeaux, A. F.; Schleyer, P. v. R.  "Structures and Energies of
Isomeric C3H62+ Dications."  
J. Am. Chem. Soc. 1989, 111, 8995.

(10).         Sudhakar, P. V.; Güner, O. F.; Lammerstma, K.  "Bond Stretch Isomerism in C2Si2."  
J. Phys.
1989, 93, 7289.

(9).         Montgomery, J. A. Jr.; Michels, H. H.; Güner, O. F.; Lammertsma, K.  "The Structure and Bonding of
Li3H Ion-Pair States."
Chem. Phys. Lett. 1989, 161, 291.

(8).         Lammertsma, K.; Güner, O. F.; Drewes, R. M.; Reed, A.; Schleyer, P. v. R.  "Remarkable Structures
of Dialane(4), Al2H4."  
Inorg. Chem. 1989, 28, 312.

(7).         Olah, G. A.; Anizfeld, R.; Prakash, G. H. S.; Williams, R. E.; Lammertsma, K.; Güner, O. F.  
"Hydrogen-Deuterium Exchange of Diborane in Superacid Solution Through Diboranonium (B2H7+), and
Diboranium (B2H5+) Ions."  
J. Am. Chem. Soc. 1988, 110, 7885.

(6).         Güner, O. F.; Ottenbrite, R. M.; Shillady, D. D.; Alston, P. V. "Epimerization and Stereoselectivity in
the Diels-Alder Reaction of Monosubstituted Dienophiles."
 J. Org. Chem. 1988, 53, 5348.

(5).         Lammertsma, K.; Güner, O. F.  "Structures and Energies of Disilicon Dicarbide, C2Si2."
 J. Am.
Chem. Soc.
1988, 110, 5239.

(4).         Güner, O. F.; Shillady, D. D.; Ottenbrite, R. M.; Rao, B. K.; Yurtsever, E.  "Pair-Excitation MCSCF
Treatment of Small Molecules in an Optimized Slater-Transform-Preuss (STP) Basis Set."
 Int. J.
Quantum Chem.
1987, 32, 551.

(3).        Güner, O. F.; Ottenbrite, R. M.; Alston, P. V.; Shillady, D. D.  "An ab initio Molecular Orbital
Evaluation of Lewis Acid Catalysis on the Diels-Alder Reactions of Acrolein."  
J. Org. Chem. 1987, 52, 391.

(2).        Alston, P. V.; Ottenbrite, R. M.; Güner, O. F.; Shillady, D. D.  "A Transition State FMO Approach for
Prediction of the Regioselectivity of the Diels-Alder Reaction."  
Tetrahedron 1986, 42, 4403.

(1).        Güner, O. F.  "The Influence of Secondary Orbital Interactions in Diels-Alder Reactions."  Ph.D.
Dissertation, Virginia Commonwealth University, 1986; [
Diss. Abst. Intl. 1988, 48, 2321B].
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