The CORAL is freeware to build up quantitative structure-property activity relationships (QSPR /QSAR). It gives the possibility to build up models for endpoints related to nanomaterials. The CORAL software has been developed at the Department of Environmental Health Science in Laboratory of Environmental Chemistry and Toxicology at The Mario Negri Institute for Pharmacological Research, Milan….
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Congratulations to our students on placing at 26th CCTCC
Congratulations to our students Juganta Roy and Micah Anderson for winning top places for their poster presentations at the 2018 International Conference on Current Trends in Computational Chemistry, held at the Jackson State University on November 9-10, 2018. We are proud of you! Indoline Based Photo Efficient Dye-sensitizers with D-A-p-A Framework: A Computational Approach Juganta K….
Introduction to Molecular Dynamics
Welcome We are pleased to announce the ICN workshop. The “Introduction to Molecular dynamics” workshop is devoted to specific lecture that will introduce basic MD techniques and DFT simulations methods. It will provide to graduated and PhD students general tools to understand and handle the first steps that may conduct them to prepare future computational…
University’s appreciation of ITL’s support with CCTCC
Dr. Jerzy Leszczynski and Dr. Shonda Allen visited the Engineer Research and Development Center (ERDC) on Wednesday, September 5th, 2018. They presented Dr. David Horner, Director of the U.S. Army Engineer Research and Development Center’s Information Technology Laboratory (ERDC ITL) with an award to show the University’s appreciation of ITL’s support over the last 25 years…