A Molecular Structure and Modeling Core laboratory has been established to provide technical services to support faculty researchers involved in cancer research and drug design at Xavier University. Drug design methods use molecular structure information and modeling methods to determine structure patterns among active and inactive compounds, identify and compare potential active sites, and screen databases to identify new leads. X-ray crystallography provides structure coordinates for druglike, organic compounds and small peptides. The goal of this core laboratory is to provide small molecule X-ray crystallographic services as well as to support ligand-based and structure-based drug design projects at any stage. The long term goal is to develop resources in order to enhance cancer related biomedical research capability at Xavier University. To achieve this goal, the Molecular Structure and Modeling Core Laboratory has set the following specific aims:

1. To provide salary support for a Core Scientist to provide molecular modeling services and training in support of Xavier faculty research projects
2. To establish new collaborations with faculty at other local and RCMI institutions who might benefit from molecular modeling services
3. To provide small molecule x-ray crystallography services
4. To provide support and maintenance costs for equipment in the MSM Core

Service Request Form: Molecular Strucutre and Modeling Core

Brochure: Molecular Structure and Modeling Core

iLab Solutions: MSM Core Request Software

 

Core Manager: Cheryl Stevens, Ph.D. Email: cklein@xula.edu Phone: 504-520-5357

Research Scientist: Madhu Mottamal, Ph.D. Email: mmottama@xula.edu Phone: 504-520-5084

Important Information for Core Users:

We hope the RCMI Molecular Structure and Modeling Core is serving your research needs.  As you are writing manuscripts, preparing presentations, and drafting grant applications that have resulted from core usage, please keep in mind the importance of citing the RCMI grant and following the NIH Public Access Policy.  In order for a publication or presentation to be counted as productivity towards the RCMI Grant, it must be cited with the grant number and a publication must be deposited into PubMed Central. 

Citations

Citations must credit NCRR's support.  Please use the statements below when citing research that was completed with the assistance of an RCMI Core facility.  If you are writing RCMI instrumentation into a grant, or using preliminary results obtained with the assistance of an RCMI Core facility, please cite RCMI in the grant application.

“This publication was made possible by NIH Grant Number 5G12RR026260-02 from the National Center for Research Resources.  Its contents are solely the responsibility of the authors and do not necessarily represent the official views of the NIH.”

Obtaining a PubMed Central (PMCID) (This is different than a PMID!)

As a result of NIH's Public Access Policy , the final, peer reviewed author manuscripts of journal articles that are supported by NIH funding must be deposited into PMC via the NIH Manuscript Submission System (NIHMSS) , as soon as the articles have been accepted for publication.  Specifically, the final manuscript supplied to PMC is the version that the journal has accepted for publication, including any revisions that the author has made during the peer review process.

You may deposit your final, peer reviewed manuscript through the Manuscript Submission System http://www.nihms.nih.gov/ , using your eRA Commons login, NIH login, HHMI login, or My NCIB login.  There are FAQs at the bottom of the webpage and submission tutorials are also available.  If you do not have access to one of these logins, please contact Michelle Soliman for assistance with submission.

Helpful links:

PubMed Central: http://www.ncbi.nlm.nih.gov/pmc/

NIH Manuscript Submission System: http://www.nihms.nih.gov/

NIH Public Access Policy: http://publicaccess.nih.gov/

Thank you for helping us stay in compliance with the RCMI Grant and the NIH Public Access Policy. Should you have any questions, please contact the Core Manager, Michelle Soliman or Guangdi Wang.