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Information Systems Program

Simulation, Analysis, and Mathematical Modeling

SAMM-logo-1The Simulation, Analysis, and Mathematical Modeling (SAMM) group maintains expertise in Computational Chemistry; from modeling full proteins, examining protein-ligand interactions, predicting absorption and emission spectra from fluorescent proteins, calculating low-energy conformations of flexible nanoparticles, and accurately determining reaction profiles for the formation and release of drugs in cancer research. The SAMM group maintains extensive mathematical expertise and has applied it to QSAR investigations, GWAS analysis, predicting protein interaction networks, quantitative proteomics, and biomarker discovery.

Featured Projects

 


Inhibitors

Mutation-Impact

Design and Optimization of Protein Inhibitors

Impact of Mutations on Protein Function

								

Math-Analysis

Drug-Metabolism

Mathematical Analysis of Biological Datasets

Quantum Chemical Modeling of Drug Metabolism

									

Protein-Modeling

Landscape-Analysis

Protein Modeling

Examination of Genome-Wide Somatic Mutations

								

CSN
 

Collaboratory for Structural Nanobiology
 

 


					

Software Development Efforts