Alexander Tropsha
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Ongoing Research Grants.
R21GM076059 (PI: A. Tropsha). Dates: 6/1/06 – 5/31/09.
National Institutes of Health
Robust Computational Framework for predictive ADME-Tox Modeling (NIH Roadmap).
This project focuses on the development of rigorous computational procedures to develop predictive QSPR models of various physical, biological and toxicological endpoints in support of Predictive ADME-Tox program as part of the NIH Roadmap.
P20-HG003898 (PI: A. Tropsha) Dates: 9/30/05-8/29/07.
National Institutes of Health
Carolina Exploratory Center for Cheminformatics Research (NIH Roadmap).
The main goal of this project is to develop an integrated web environment (ChemBench) to provide cheminformatics research support for the Molecular Libraries Initiative as part of the NIH Roadmap.
GM068665 (PI: A. Tropsha) Dates: 8/1/06-7/30/10.
National Institutes of Health
Protein Structure/Function Specific Packing Motifs.
This project explores applications of computational geometry approaches to the analysis of folded protein structures and the elucidation of packing motifs specific to structure and function.
R41 GM074225-01A1 (PI: A. Tropsha). Dates: 09/01/2006 - 02/28/2007
National Institutes of Health
Automated, Web Based Software Development for Predictive QSAR Modeling.
This is a small business technology transfer project that intends to convert the predictive QSAR modeling technology developed in the PI’s lab to the commercial product.
R01-GM66940-01A1 (PI: A. Tropsha). Dates: 7/1/03 – 6/30/07
National Institutes of Health
Predictive QSAR Modeling.
The main objective of this project is to develop, validate, and deliver efficient computational tools for rapid and reliable prediction of biological activity and/or related pharmaceutical properties of drug-like molecules.
R01-MH068655 (PI: Booth; Tropsha co-investigator). Dates 7/1/05 – 6/30/09.
National Institutes of Health
Functional Probes for Brain Histamine H1 Receptors.
This project focuses on the discovery of agonists and antagonists of Histamine H1 receptors using a combination of experimental and computational techniques.
R832720 (F. Wright; A. Tropsha, Project 2 PI). Dates of the Project: 8/1/05 – 7/31/10
Environmental Protection Agency
The Carolina Environmental Bioinformatics Research Center
The Center will develop novel analytic and computational methods, create efficient user-friendly tools to disseminate the methods to the wider community, and will apply the computational methods to data from molecular toxicology and other studies. Project 2 (Chem-informatics) will coordinate the compilation and mining of data from relevant external databases and perform analysis and methods development for investigating Quantitative Structure-Activity Relationships of environmental toxicants.
CCF 0523875 (W. Wang; A. Tropsha Co-PI). Dates: 7/15/2005 – 6/30/2008
National Science Foundation
“Identifying Spatial Motifs for Classification of Protein Structure and Function”
This project will undertake a comprehensive analysis of protein structures. We will mine the protein structures available in the PDB for structural motifs and construct each protein’s signature as a combination of such motifs.
Ongoing Training Grants (PI):
T32 GM067553-01A1 (A. Tropsha; transferred to T. Elston in summer, 2006). Dates: 7/1/05-6/30/10
National Institutes of Health
UNC Predoc. Program in Bioinformatics and Computational Biology.
UNC-General Administration
UNC-CH Research Training Program in Bioinformatics. (A. Tropsha; transferred to T. Elston in summer, 2006). Dates: 07/01/02 – 06/30/08 (competitive renewal granted 07/01/05).
Recently Completed Grants:
P20-RR20751 (PI: Reed; Tropsha co-investigator). Dates: 6/1/2004 – 5/31/2006.
National Institutes of Health
Carolina Center for Exploratory Genetic Analysis.
The Center will explore computational and statistical techniques to establish robust genotype-phenotype correlations.
DK58335-01 (R. Falk; A. Tropsha, co-investigator) Dates of Project: 7/1/2000 – 6/30/05
National Institutes of Health
“ANCA Glomerulonephritis: From Molecules to Man”
The overall goal of this project is to investigate various factors that influence the development of glomerulonephritis in men. Our role is to develop molecular models of Proteinase-3, a key enzyme involved with the etiology of the disease
ITR/MCB 0112896 (PI: A. Tropsha). Dates of Project: 10/1/01-9/30/04
National Science Foundation
“Computational Analysis of Proteins: From Structure to Sequence to Function”
This project employs statistical geometry approach (Delaunay tessellation) to develop pseudopotential for fold recognition and use this potential in both fold recognition and folding simulations.
NIH/NLM LM07071. (PI: A. Tropsha) Dates: 07/01/01 – 06/30/03 (no cost extension granted until 06/30/04).
National Library of Medicine
Duke-UNC Training Program in Medical Informatics.
MH60328-01 (A. Tropsha) Dates of Project: 4/15/00-3/31/03
National Institutes of Health
“Design of Novel D1 Dopamine Receptor Ligands”
This project employs QSAR and database mining approaches to discover novel ligands of dopaminergic D1 receptor of non-catechol nature.