The Computational Structural and Chemical Biology Core brings customized structural biology and chemical biology insights to your research, facilitating hypothesis generation and guiding experimental design. We offer state-of-the-art molecular visualization, structural analysis, ligand-based modeling, and structure/activity predictions that are designed to accelerate discovery.
In partnership with the Vanderbilt Institute for Chemical Biology (VICB), we offer Ligand-Based modeling techniques. For example, if you have validated hits from High-Throughput-Screening (HTS) experiments, we can generate pharmacophores, predict structure-activity relationships (SAR), and perform ligand-based virtual screens on commercially-available compound libraries to increase your hit rate in subsequent HTS experiments.
In cases where ligand-based SAR data are available, they can be combined with structure-based techniques described below, to provide intermolecular structure-function insights.
The core has expertise in a wide array of structure-based techniques, including but not limited to homology modeling, molecular mechanics, ligand docking, protein-protein docking, and protein design applications. Gaining 3D structural insight into your system often creates opportunities to design more effective experiments and/or create detailed new hypotheses about modes of function.
Hours | Location |
Monday - Friday 9:00 AM - 5:00 PM |
Suite 5140, MRBIII 465 21st Ave. S Nashville, TN 37240-7917 |
Prof. Jens Meiler
Scientific Director
Jarrod Smith, Ph.D.
Operations Director
Name | Role | Phone | Location | |
---|---|---|---|---|
Jarrod Smith |
Operations Director, Staff Scientist
|
322-1739
|
jarrod.smith@vanderbilt.edu
|
5138 MRBII
|
Emma Pacilli |
Core Administrator
|
343-3182
|
emma.pacilli@vanderbilt.edu
|
5805 Stevenson Center
|