2745 Arrowwood Trail

Ann Arbor, MI 48105

xueliang@umich.edu

Fax: 734-764-2532

Tel.  734-764-2537(O)

734-214-5352(H)

Personal web site: http://sw16.im.med.umich.edu/xueliang/

Demo projects: http://sw16.im.med.umich.edu/lab/software.htm

(To access more demonstration on my website, password will be issued upon request via email)

OBJECTIVE

            To acquire a computational chemist, bioinformatics/cheminformatics scientist position that will leverage my experience in drug discovery research and implementation of enterprise-class software applications.

HIGHLIGHTS OF QUALIFICATIONS

·        Good working interdisciplinary knowledge of chemistry and computer science. Scientific research experience in the field of quantitative structure-activity relationship, pharmacophore based, two-dimensional and three-dimensional structure based screening, including substructure, similarity, and diversity search, computer-aided drug discovering, chemical information database designing, mining and analyzing.

·        Advanced knowledge of RDBMS concepts and implementations using Oracle 9i as a back-end database server.

·        Excellent skills in software design/implementation experience.

·        Strong analytical and interpersonal skills.

 

EDUCATION/TRAINING

INSTITUTION AND LOCATION

DEGREE
(if applicable)

YEAR(s)

FIELD OF STUDY

The University of Michigan

 Ann Arbor, Michigan

Postdoctoral

2001-present

Cheminformatics/Bioinformatics

Georgetown University Medical Center

Washington, DC

Postdoctoral

2000-2001

Computational Chemistry in Drug Design

Institute of Chemical Metallurgy, Chinese Academy of Sciences, Beijing, PR China

Ph. D.

1997-2000

Computational Chemistry in Chemical Engineering

University of Science and Technology,

Beijing, PR China

M.S.

1994-1997

Physical Chemistry

University of Science and Technology

Beijing, PR China

B.S.

1989-1993

Physical Chemistry

 

TECHNICAL SKILLS

Computer Languages:   Java, C/C++, Visual Basic, SQL/PL, XML, HTML, PERL, SVL

Platforms:                     UNIX/LINUX/IRIX, Windows NT/2000/9X

Protocols:                     HTTP

Concepts:                     EJB, Servlets, JDBC, Threads, OOP, ActiveX

DBMS:                        Oracle, SQL server, MySQL

Software:                      Sybyl, Moe, Quanta, Cerius2, ChemOffice, ChemX, MatLab, SAS

Additional:                    Apache, JSP, ASP, PHP, CGI

 

PROFESSIONAL EXPERIENCE

09/2001- present          Research Fellow                       Internal Medicine-Hematology/Oncology

                                                                                    The University of Michigan, Ann Arbor, MI

·        Estimation of Entropy Loss in the Protein-Ligand Binding Process Using Graph Indices.

Ongoing project

·        Herbal Medicine Information System for Cardiovascular Diseases.

Ongoing project, http://sw16.im.med.umich.edu/cvdb/

·        Chinese Herbal Medicine Information System for Cancer.

A web-based database management system for anti-cancer drug design and discovery, 700 selected recipes, 937 ingredients, 8,900 small compounds with 2D/3D structures and predicted properties, 250 molecular targets, 89,000 literature references. 170 anti-cancer drug leads (IC50<1uM) found in database. Programmed in Perl, JSP, SVL and Oracle

http://sw16.im.med.umich.edu/chmis/

·        Bioinformatics Analysis for Mining NCI Anticancer Screening Data

Web-based information analysis tools to correlate the NCI bioactivity screening data of 41k small ligands, protein level of 200 molecular targets, and mRNA level of 15k gene expressions. Three algorithms have been developed for correlation analysis, and an optimal noise filter has also been integrated in our program. Programmed in C++, JSP and Oracle

http://sw16.im.med.umich.edu/correlation/

·        NCI Bioactivity Screening Data Search Tool

Web-based tool for searching NCI anti-cancer screening data. Programmed in Oracle and JSP

http://sw16.im.med.umich.edu/Activity_Search/

·        Structure-based Search Tools

Web-based tools for exact, substructure, and similarity search. A 1,200,000-compound searchable database has been development. Fingerprints have been generated using hash coding algorithm. Programmed in C++, JSP and Oracle

http://sw16.im.med.umich.edu/Exact_2D_Search/

http://sw16.im.med.umich.edu/Substructure_2D_Search

http://sw16.im.med.umich.edu/Similarity_2D_Search/

http://sw16.im.med.umich.edu/commercial_search/

http://sw16.im.med.umich.edu/List_2D_Structure/

http://sw16.im.med.umich.edu/List_3D_Structure/

·        FDA Approved Compounds Database.

Design, develop, and analyze a web-based structure database for 1,305 selected active ingredients from FDA approved drugs. Statistical analysis and property evaluation of FDA compounds.  Programmed in Oracle and JSP

http://sw16.im.med.umich.edu/2D_list/index.jsp?Database=FDA

 

·        Reagent Inventory

A web-based Oracle database management system for commercial reagents (~900 compounds) used for organic synthesis, saved about $18,000/year. Programmed in Oracle and JSP

http://sw16.im.med.umich.edu/Reagent/

 

11/2000-09/2001                     Research Fellow           Lombardi Cancer Center

                                                                                    Georgetown University Medical Center

                                                                                    Washington, DC

  • Web-based 3D Pharmacophore Searching Tool Using ISAPI and Oracle.

Primarily programmed in C++. Java applet and VRML techniques applied.

http://sw16.im.med.umich.edu/Pharm_Search/

  • User Management System for XTOOL (Computer-Aid Drug Design Toolkits).

Automatically register user information, distribute username/password, generate license agreement, and record download history. (457 academic and industrial users till May, 2003). Programmed in JSP and ASP.

http://sw16.im.med.umich.edu/software/xtool/

http://sw16.im.med.umich.edu:70/SetPassword/

  • PDB References Explorer

Standalone in-house program exploring and analyzing literature references from Protein Data Bank and PubMed. Programmed in Java

 

09/1997-11/2000         Ph.D.                                       Institute of Chemical Metallurgy,

                                                                                    The Chinese Academy of Sciences

                                                                                    Beijing, PR China

  • Development of Program Package for Equilibrium Calculation (PPEC) for multiple-phase and multiple-component system. (part of Ph.D. dissertation)
  • Engineering Chemistry Database (part of Ph.D. dissertation)

http://159.226.63.177/

  • Development of graphic user input/output interface for Chromatography Simulations. (More than 600 academic/industrial users, five algorithms originally designed for DOS by Associate Prof. Tingyue Gu, Ohio University). Using Visual Fortran, Visual C++, and ActiveX techniques to visualize the program packages for Windows. See introduction: http://www.ent.ohiou.edu/~guting/CHROM/ (demo version available upon email request)
  • Zhejiang University Alumni Database in North America (part time job)

http://www.azkef.org/alumni/

 

09/1994 – 09/1997      M.S.                                        University of Science and Technology

                                                                                    Beijing, PR China

Thermophysical Database System, prediction surface tension and density for high temperature metallic and ionic melts. (Using Foxpro, C++)

 

INDUSTRIAL EXPERIENCE

07/1993 – 09/1994      Technician                                E’Cheng Iron & Steel Works

                                                                                    Hubei, PR China

10/1994 – 02/1996      Programmer                            Zhongyi Inc. Beijing, P R China

A machine learning commercial software for (a famous Chinese character input method) using VB and artificial intelligence technology

 

PERSONAL INFORMATION

DOB:   July 13, 1971

City:       E’Zhou, Hubei

Citizen:  China, PR

Professional society: American Chemical Society

 

PUBLICATION

1.                   Wang, R., Fang, X., Lu, Y., and Wang, S. “PDBBind: A Binding Affinity Database of Protein-Ligand Complexes with Known Three-Dimensional Structures”. (accept by Journal of medical Chemistry), 2004

2.                   Fang, X., and Wang, S. “Introduction of the Chinese Herbal Medicine Information System and Its Applications on the Web”, Journal of Medical Chemistry  (submitted)

3.                   Fang, X., Shao, L., Zhang, H., and Wang, S. “Web-based Tools Mining NCI Database for Anti-cancer Drug Discovery”, Journal of Chemical Information and Computer Sciences, 2004, 44, 249-257

4.                   Varady, J., Wu, X., Fang, X., Ji, M., Hu, Z., Levant, B., and Wang, S. “Molecular Modeling of the Three-Dimensional Structure of Dopamine 3 (D3) Subtype Receptor. Discovery of Novel and Potent D3 Ligands through  Hybrid Pharmacophore- and Structure-Based Database Searching Approach”, Journal of Medicinal Chemistry, 46, 4377-4392, 2003

5.                   Fang, X., and Wang, S. “A Web-based Tool for 3D Pharmacophore Searching”. Journal of Chemical Information and Computer Sciences 42: 192-198, 2002.

6.                    Fang, X., Su, Z., and Gu, T. “A PC-Based Chromatography Simulation Package with Graphical User Interface for the Modeling and Scale-Up of Various Forms of Liquid Chromatography”, AIChE 2000 Annual Meeting, Los Angeles

7.                   Fang, X., Wen, H., Xu, Z. “A Web Based Engineering Chemistry Database”, Computers and Applied Chemistry 16: 353-354, 1999.

8.                   Cai, N., Fang, X., Yang, Z., and Xu, Z. “Calculation of Predominance Area Phase Diagram Based on WWW”, Computers and Applied Chemistry 16: 316-320, 1999. (in Chinese)

9.                    Shi,D., Fang, X., Zhang, J., and Zhou, T. “Prediction of Surface Tension in Metallic and Ionic Melts in Thermophysical Database System”, Steel Research 69: 418-422, 1998.

10.                 Zhang, J., Ma, Y., Zhou, T., Lei, J., Fang, X. “Computerized System for Prediction of Thermophysical Properties”, Transactions of Nonferrous Metals Society 7(2): 29-33, 1997.

11.                 Zhang, J., Zhou, T., Ma, Y., Fang, X., and Lei, J. “A Metallurgyical-thermophysical Database System”, Steel Research 68: 3-8, 1997.

REFERENCES        Available upon request

Shaomeng Wang, Ph. D.

Associate Professor of Internal Medicine, School of Medicine

Assistant Professor of Medicinal Chemistry, College of Pharmacy

The University of Michigan

1500 E. Medical Center Dr.

Ann Arbor, MI 48109

 

Marc E. Lippman, M. D.

John G. Searle Professor and Chair

Department of Internal Medicine, School of Medicine

3101 Taubman Center, Box 0368

1500 E. Medical Center Dr.

Ann Arbor, MI 48109