Computer Aided Molecular Design and Quantitative Structure-Activity Relationships
Computer Aided Molecular Design (CAMD) is a family of methodologies that facilitate the prediction of molecular properties including ab initio moledular modeling, molecular dynamics and the use of Quantitative Structure-Activity Relationships (QSAR). This page is dedicated to our work using CAMD to design new molecular structures for targeted applications .
Please visit the site frequently, since other model applets will be posted as they are developed and existing applets revised as we receive your input.
J. J. Biernacki, Professor, Department of Chemical Engineering, Tennessee Technological University, Cookeville, TN 38505
List of Contributors
Donald P. Visco Jr., PhD, Professor of Chemical Engineering, University of Akron
Benjamin Nation, Tennessee Technological University, Undergraduate Research Student
Ryan Pavlovsky, Tennessee Technological Univeristy, Undergraduate Research Student
Evangelynn Thurber, Cookeville High School, Tennessee Technological Univeristy, Research Experience for Teachers (RET) participant
About the Applets
The applets are Maple worksheets made web-accessible via MapleNet. This process calls on Java, a programming language that enables you to talk to many web-based applications, including those using MapleNet. You will need to have an updated version, at least Version 6 Update 20, to be sure that all of the applet features will work. If you are using the Internet, you are likely already using Java, it’s free and easy ot access if you do not have it. Go to the following website if you would like to or need to update your Java:
This website and the associated applets were made possible by National Science foundation Grant Nos. 0928539, 14000881 and 1343447. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the National Science Foundation.