Credentials of the Director
Osman F. Güner
Degrees
Employment History
List of Publications
List of Abstracts and Presentations
Teaching Experience
Professional Affiliations
Professional Activities
Other Activities

(76.)        Güner, O. F. “Career opportunities in the computational chemistry software and services industry for
scientists with academic background,” 230th ACS National Meeting, Washington DC, August 28-30,
2005.

(75.)        Clement, O. O.; Güner, O. F. “Possibilities for transfer of relevant data without revealing structural
information.” 229th ACS National Meeting, San Diego, CA, March 13-17,
2005.

(74.)        Güner, O. F. “Overview of Virtual Screening Methodologies,” Drug Design, SMI Conference,
Executive Briefing, February 28 - March 2,
2005, London, UK

(73.)        Wilby, M.-L.; Güner, O. F. “Effective Docking and Scoring: Novel Classification of Protein-Ligand
Complexes based on Binding Site Characteristics,” 2nd Brazilian Symposium on Medicinal Chemistry",
November 22-25,
2004, Rio de Janeiro, Brazil

(72.)        Clement, O.; Güner, O. F. “Effective use of Pharmacophores in Computer-Aided Drug Design:  
Some Recent Examples,” 15th European Symposium on Quantitative Structure-Activity Relationships &
Molecular Modeling (EuroQSAR), September 5-10,
2004, Istanbul, Turkey

(71.)        Güner, O. F.; Clement, O.  “Use of Pharmacophore Models in Predictive ADME”, Physicochemical
and Biological Profiling in Drug Research, Federal Institute of Technology (ETH), Feb 29th-March 4th,
2004,
Zurich, Switzerland

(70.)        Clement, O.; Güner, O.F.  “Use of Predictive ADME/Tox Tools in Early Discovery,” ADMET-1, February
12-14,
2004, San Diego, CA

(69.)        Wilby, M.-L.; Güner, O. F. “Novel Classification of Protein-Ligand Complexes based on Binding Site
Characteristics,”  World Drug Discovery & Development Summit, January 19-21,
2004, Copenhagen,
Denmark

(68).        O.F. Güner, “In silico modeling in Drug Discovery – Future Opportunities and Challenges,” Drug
Discovery and Development Summit, Honolulu, HI, December 1-5,
2003.

(67).        O. F. Güner, “Utilization of Pharmacophores in the Pharmaceutical and Biotechnology Industry,”
Ankara Universitesi Biyoteknoloji Gunleri, Ankara, Turkey, September 23,
2003.

(66).        O.F. Güner, M.-L. Wilby, C.M. Venkatachalam, “Advances in structure-based drug design: high-
throughput docking and scoring,” 4th International Symposium on Pharmaceutical Chemistry  (ispc-4),
Istanbul, Turkey, September 17-19,
2003.

(65).        O. F. Güner, L. S. Fisher, “Recent developments in structure-based pharmacophore design,” e-Drug
Discovery, Seoul Korea, May 20-22,
2003.

(64.)        L.S. Fisher and O. F. Güner, “Seeking novel leads through structure-based pharmacophore design,”
225th ACS National Meeting, New Orleans, LA, March 23-27,
2003.

(63).        Güner, O. F.  "A Pharmacophore Strategy for Developing Novel Leads in Drug Discovery,” First
International Meeting on Medicinal and Pharmaceutical Chemistry: IMMPC-1, Ankara, Turkey, September 25-
28,
2002.

(62).        Güner, O. F.  "Pharmacophore Perception, Development, and Use in Drug Design,” Fifth Swiss
Course on Medicinal Chemistry, Leysin, Switzerland, October 6-11,
2002.

(61).        Güner, O. F.; Brown, R. D.  "Use of Predictive ADME in Combinatorial Library Profiling and Lead
Optimization,” Drug Discovery Japan, CHI’s 6th annual, Tokyo, Japan, January 28-30,
2002.

(60).        Güner, O. F.; Brown, R. D., "Use of Predictive ADME in Library Profiling and Lead Optimization,”
223rd National American Chemical Society Meeting, Orlando, FL, April 7-11,
2002.

(59).        Güner, O. F., "History and Evolution of Pharmacophore Modeling in Drug Design,” 53rd American
Chemical Society, Southeastern Regional Meeting, Savannah, Georgia, September 23-26,
2001.

(58).        Güner, O. F.; Baum, S.  "Modeling and Analysis Tools for the Medicinal Chemists,”1st Brasilian
Symposium on Medicinal Chemistry: New Approaches in Drug Design,“ Caxambu, Brasil, November 11-16,
2001.

(57).        Güner, O. F.; Fisher, L. S.  "Seeking Novel Drug Candidates through de Novo Pharmacophore
Design,” 3rd Workshop on Chemical Structure and Biological Activity: Perspectives in QSAR, Sao Paulo,
Brasil, November, 8-10,
2001.

(56).        Güner, O. F.  "Future Considerations in Pharmacophore Design: de Novo Design of Dynamic
Pharmacophores," SCI Bioactive Sciences Group Meeting on “Pharmacophores for Designing Drugs and
Crop Protectants,” London UK, October 16th
2001.

(55).        Güner, O. F.  "Historical Evolution and Exploitation of the Concept of Pharmacophores in Drug
Design," 3rd International Symposium on Pharmaceutical Chemistry, Istanbul, Turkey, September 17-22,
2001.

(54).        Güner, O. F.  "Initiatives in Software Companies and CC/Ct Consortium," Expert Group Meeting on
“Industrial Application of CC/CT/MD,” Trieste, Italy, January 29-30,
2001.

(53).        Waldman, M.; Güner, O. F., "Effective Analysis of Data Mining Results,” 221st American Chemical
Society Meeting, San Diego, CA, April 1-4,
2001; paper CINF 67.

(52).        Güner, O. F.; Freeman, C.; Sutter, J.; Clement, O.  "Recent Developments in Pharmacophore
Perception in Drug Design,” 2000 International Chemical Congress of Pacific Basin Societies (Pacifichem),
Honolulu, Hawaii, December 14-19,
2000; paper MEDI 114.

(51).        Gund, P.; Cohen, J.; Egan, W. J.; Güner, O. F., "Informatic challenges in data management, high-
throughput screening, and development of predictive models of ADME properties,” 220th American Chemical
Society Meeting, Washington, D.C., August 20-24,
2000; paper CINF 50.

(50).        Güner, O. F.; Brown, R. D.; Jamois, E. A.; Waldman, M. "Finding the Needle in a Haystack: Synergy
between Rational and Combinatorial Drug Design," 218th American Chemical Society Meeting, New
Orleans, LA, August 22-26,
1999; paper COMP 175.

(49).        Güner, O. F.; Casher, O.; Shah, A. V.; Hempill, C. "Cheminformatics and the Internet," 218th
American Chemical Society Meeting, New Orleans, LA, August 22-26,
1999; paper CINF 68.

(48).        Güner, O. F.; Henry, D. R. "Formula for Hit List Evaluation and Analysis from Database Searches”,
QSAR Gordon Research Conferences, Tilton, New Hampshire, July 25-30,
1999

(47).        Güner, O. F.  "Hit List Analysis Strategies in Database Searches," Drug Discovery Technologies '99,
Amsterdam, The Netherlands, April 27-28,
1999.

(46).        Güner, O. F.  "Strategies in Database Mining and Hit List Analysis," 1999 Charleston Conference,
Isle of Palms, South Carolina, March 15-17,
1999.

(45).        Güner, O. F.; Hoffmann, R. "Techniques and Strategies in 3D Database Mining”, 217th American
Chemical Society Meeting, Anaheim, California, March 21-25,
1999; paper CINF 2.

(44).        Sutter, J.; Güner, O. F.; Hoffmann, R.; Li, H.; Waldman, M. "Automatic Pharmacophore Generation
Using Catalyst”, 217th American Chemical Society Meeting, Anaheim, California, March 21-25,
1999; paper
CINF 44.

(43).        Sutter, J. M.; Güner, O. F.; Li, H; Waldman, M. "New Developments in Pharmacophore Model
Generation and in 3D Searching”, 216th American Chemical Society Meeting, Boston, Massachusetts,
August 23-27,
1998; paper CINF 55.

(42).        Brown, R. D.; Güner, O. F.; Hahn, M.; Li, H. "Web-Based Productivity Tools for Chemists: WebLab™
MedChem and Diversity Explorer”, 216th American Chemical Society Meeting, Boston, Massachusetts,
August 23-27,
1998; paper CINF 51.

(41).        Güner, O. F.; Li, H.; McDonald, D. W.; Clark, J. C. "Web-Based Productivity Tools for Medicinal
Chemists: WebLab MedChem Explorer” 26th National Medicinal Chemistry Symposium, Richmond, Virginia,
June 14-18,
1998; paper E-5

(40).        Güner, O. F.; Kim, J.-H.; Hoffmann, R. "The Significance of Training Set Selection for Automated
Pharmacophore Model Generation,” 215th American Chemical Society Meeting, Dallas, Texas, March 29-
April 2,
1998; paper COMP 8.

(39).        Güner, O. F.; Waldman, M.; Venkatachalam, C. M.; Giaimo, R. J.  "Drug Design in an Integrated
Environment: Integrated Use of Cheminformatics with Molecular Simulation, Modeling, and Analysis Tools,"
214th American Chemical Society Meeting, Las Vegas, Nevada, September 7-11,
1997; paper COMP 35.

(38).        Güner, O. F.  "New Technology:  Medicinal Chemists’ Access and Effective Use of Rational Drug
Design Tools Through the Internet."  Sixth Annual Conference on The Cutting-Edge in Rational Drug Design,
IBC Conference, Coronado, California, December 11-12,
1997.

(37).        Güner, O. F.  "An Integrated Approach to Drug Discovery and Design: Collaborative Use of Tools in
Chemical Informatics, Molecular Simulation/Analysis, and the Internet."  Data Management for Drug
Discovery and Design, IBC Conference, San Francisco, California, June 23-24,
1997.

(36).        Güner, O. F.; Kahn, S. D.; Sprague, P.; Li, H.  "Critical Look at Approaches for Pharmacophore Model
Generation," 213th American Chemical Society Meeting, San Francisco, California, April 13-1,
1997; paper
COMP 90.

(35).        Henry, D. R.; Miller, M. A.; Güner, O. F.  "Optimization of Pharmacophore Search Queries for
Structure-based Drug Design," 213th American Chemical Society Meeting, San Francisco, California, April
13-1,
1997; paper COMP 39.

(34).        Güner, O. F.; Hahn, M.; Li, H.; Hassan, M.  "2-D versus 3-D Similarity: Use of Molecular Shape-based
3-D Searching Techniques for Identifying Novel Compounds," 213th American Chemical Society Meeting,
San Francisco, California, April 13-1,
1997; paper CINF 9.

(33).        Güner, O. F.; Henry, D. R.; Ozkabak, A. G.; Moock, T. E.; Gund, P.  "Query Formulation and
Refinement Techniques in 3D Database Searching," 211th American Chemical Society Meeting.  New
Orleans, Louisiana, March 24-28,
1996; paper CINF 36.

(32).        Güner, O. F.  "New Techniques in 3D Database Searching:  Utilizing Information Available from
Receptor-Ligand Interactions."  Computational Approaches to Analyze Protein-ligand Interaction/Binding
Affinity, IBC Conference, Coronado, California, December 11-12,
1995.

(31).        Güner, O. F. and  Henry, D. R.  "Techniques in Searching for New Leads in Databases of Three-
Dimensional Structures."  1995 Gordon Research Conference on QSAR, Tilton, New Hampshire, August,
1995.

(30).        Güner, O. F.; Hempel, J. C.  “3D Database Searching in the Discovery of Peptidomimetics:
Endothelin Antagonists,” 17th Symposium on Chemical Information and Computer Science, and 22nd
Symposium in Structure-Activity Relationship, November 16-18,
1994, Tokyo, Japan.

(29).        Güner, O. F.; Hempel, J. C.  “Collaborative Use of Pharmacophore Hypothesis Generation and 3D
Database Searching Tools for Peptidomimetic Discovery of Endothelin Antagonists,” The Chemical
Information Explosion Symposium, September 12-13,
1994, University of Reading, United Kingdom

(28).        Hempel, J. C.; Cordova, T.; Hagler, A. T.; Hassan, M.; Koerber, S.; Vorpagel, E.; Güner, O. F.  
“Pharmacophore Hypothesis Generation and 3D Database Searching in the Discovery of Peptidomimetics:  
Endothelin Antagonists,”  Scientific Seminar Tour - “Mining Your Database for New Lead Compounds,”  May
17-19,
1994 - San Diego, San Francisco, Seattle; June 3-9, 1994 - Bangalore-India, Tapei-Taiwan, Seoul-S.
Korea, Osaka and Tokyo-Japan.

(27).        Güner, O. F.; Henry, D. R.; Moock, T. E.  "Interactive 3D Searching Techniques Using
Conformationally Flexible Searching Algorithms," 206th American Chemical Society Meeting.  Chicago,
Illinois, August 22-27,
1993; paper COMP 86.

(26).        Güner, O. F.; Moock, T. E.; Henry, D. R.; Ozkabak, A. G.; Alamgir, M.  "An Interactive Approach to
Conformationally Flexible Searching of Databases of Three-Dimensional Structures,"  12th Annual
Conference of the Molecular Graphics Society, Interlaken, Switzerland, June 7-11,
1993.

(25).        Güner, O. F.; Henry, D. R.; Moock, T. E.; Pearlman, R. S.  "Flexible Queries in 3D Searching:  
Techniques in 3D Query Formulation." 202nd National Meeting, American Chemical Society, New York, New
York, August
1991.

(24).        Güner, O. F.  "3D Searching:  A Rapidly Evolving Methodology in Rational Drug Design."  Department
of Chemistry, California State University, Hayward, California, November, 1991.

(23).        Güner, O. F.; Henry, D. R. "3D-Searching: An Emerging New Technology in Computer-Aided Drug
Design." 201th National Meeting, American Chemical Society, Atlanta, Georgia, April
1991.

(22).        Henry, D. R.; Singer, M. S.; Güner, O. F.  "Use of the MACCS-II Molecule Spreadsheet in Quantitative
and Qualitative Structure-Activity Relationship Studies of Herbicides and Pesticides." 201th National Meeting,
American Chemical Society, Atlanta, Georgia, April
1991.

(21).        Lammertsma, K.; Güner, O. F.; Sudhakar, P. V.  "Rhombic C4:  Does it Contain the Longest Non-
bonding C—C Distance?" 201th National Meeting, American Chemical Society, Atlanta, Georgia, April
1991.

(20).        Güner, O. F.  "3D Searching:  An Emerging New Technology in Computer-Aided Drug Design."  
College of Pharmacy, University of Texas at Austin, Austin, Texas, November
1990.

(19).        Güner, O. F.  "3D Searching:  An Emerging New Technology in Computer-Aided Drug Design."  
CADMol Awareness Seminar; Procter and Gamble, Cincinnati, Ohio, July,
1990.

(18).        Güner, O. F.; Benett, F.  "Integrating Spectroscopic Information into Three-Dimensional Databases
with MACCS-3D." 1990 Pacific Conference on Chemistry and Spectroscopy, American Chemical Society, San
Francisco, California, November
1990.

(17).        Güner, O. F.; Henry, D. A.; Christie, B. D.; Hughes, D. W.; Miller, M. A.  "An Integrated Approach to
Three-Dimensional Information Management with MACCS-3D." 198th National Meeting, American Chemical
Society, Boston Massachusetts, April
1990.

(16).        Andrews, J. D.; Güner, O. F.; Hughes, D.W.; Miller, M. A.; Rock, C. A.  "Using a Three-Dimensional
Chemical Database Management System to Store and Analyze the Results of Molecular Dynamics Studies."  
198th National Meeting, American Chemical Society, Boston Massachusetts, April
1990.

(15).        Güner, O. F.  "MACCS-3D, Adding the Third Dimension to Information Management."  Modeling,
Polymers and Research Meeting, University of Illinois at Chicago, Chicago Illinois, November
1989.

(14).        Güner, O. F.; Lammertsma, K.  "Electron Density Analysis of Bonding between Inverted
Tricoordinate Carbons."  66th Annual Meeting, Alabama Academy of Science, Birmingham Alabama, March
1989.

(13).        Güner, O. F.  "Computational Solutions to Experimental Problems."  Department of Chemistry
Seminar, University of Alabama at Birmingham, Birmingham Alabama, March
1989.

(12).        Güner, O. F.; Lammertsma, K.  "Rhombic Dicarbides and Diborides, a Theoretical Overview."  40th
Southeastern Regional Meeting, American Chemical Society, Atlanta Georgia, November
1988.

(11).        Güner, O. F.  "Theoretical Evaluation of Epimerization in Diels-Alder Cycloadducts."  196th National
Meeting, American Chemical Society, Los Angeles California, September
1988.

(10).        Lammertsma, K.; Güner, O. F.; Thibodeaux, A. F.; Schleyer, P. v. R.  "Hyperconjugative Stabilizations
in Carbodications."  196th National Meeting, American Chemical Society, Los Angeles California, September
1988.

(9).        Güner, O. F.; Lammertsma, K.  "Structural Properties of Tetraatomic B¬2Be2 Cluster."  196th National
Meeting, American Chemical Society, Los Angeles California, September
1988.

(8).        Güner, O. F.; Lammertsma, K.; Olah, G. A.; Prakash, G. K. S.; Anizfeld, R.  "Protonated Diboranes - A
Theoretical Study."  196th National Meeting, American Chemical Society, Los Angeles California, September
1988.

(7).        Güner, O. F.  "Computational Analysis of Epimerization." Alabama Supercomputer Network,
Computational Chemistry Conference, Huntsville Alabama, November
1988.

(6).        Lammertsma, K.; Güner, O. F.  "The Prevalence of Rhombic Structures in A2B2 Tetraatomics."  1st
High Energy-Density Matter Contractors Meeting, Rosslyn Virginia, May
1987.

(5).        Güner, O. F.; Ottenbrite, R. M.; Alston, P. V. "Influence of Regioselectivity by Lewis Acids in Diels-Alder
Reactions of Acrolein."  64th Annual Meeting, Virginia Academy of Science, Harrisonburg Virginia, May
1986.

(4).        Güner, O. F.; Shillady, D. D.; Rao, B. K.  "Optimized STP Minimum Basis Sets for Selected Small
Molecules."  64th Annual Meeting, Virginia Academy of Science, Harrisonburg Virginia, May
1986.

(3).        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 Basis Set." International
Symposium on Atomic, Molecular, and Solid State Theory (Sanibel Symposium), Marineland Florida, March
1986.

(2).        Güner, O. F.; Ottenbrite R. M.; Shillady, D. D.; Alston, P. V.  "The Theoretical Evaluation of the Effect of
Lewis Acid Catalysis in Diels-Alder Reactions."  36th Southeastern Regional Meeting, American Chemical
Society, Raleigh North Carolina, October
1984.

(1).        Güner, O. F.; Ottenbrite, R. M.; Shillady, D. D.; Alston, P. V.  "Secondary Orbital Interactions
Determining the Regioselectivity in the Lewis Acid Catalyzed Diels-Alder Reactions."  62nd Annual Meeting,
Virginia Academy of Science, Richmond Virginia, May
1984.
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