Computational Chemistry in Biology Faculty

Learn more about this group by contacting Dr. Arthur Roberts (

Computational Chemistry in Biology (CCB) encompasses research groups that use computer software to solve problems and generate hypotheses in biology. Computer studies from members in this group can be completely theoretical or can be driven using experimental data. Research may involve calculating the quantum mechanical states of an intermediate to better understand an enzymatic reaction. A member of this group may use molecular dynamics (MD) simulations to investigate biological motion or energy minimization (EM) to determine the lowest energy state of a biomolecule. Faculty in this group may use molecular docking techniques for virtual drug screening or use protein homology modeling to predict a protein structure.

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Photo of Maria Belen Cassera
Maria Belen Cassera
Associate Professor Biochemistry & Molecular Biology

Metabolomic approaches applied to drug target selection and validation in human pathogens; discovery and development of new chemotherapeutic interventions.

Photo of Takahiro Ito
Takahiro Ito
Assistant Professor Biochemistry & Molecular Biology

Molecular and cellular biology of normal and malignant stem cells

Photo of Eileen Kennedy
Eileen Kennedy
Associate Professor Pharmaceutical & Biomedical Sciences

Chemical biology, kinase signaling, cancer, signal transduction, drug discovery.

Photo of Richard Morrison
Richard Morrison
Associate Professor Chemistry

Development of synthetic organic methodologies to produce active pharmaceutical ingredients. Microwave-promoted synthesis of bioactive amines.

Photo of Scott Pegan
Scott Pegan
Associate Professor Pharmaceutical & Biomedical Sciences

Antiviral and nerve agent poisoning therapeutic discovery, assay development, enzymology, structural biology, regulation of innate immune responses

Photo of Robert S. Phillips
Robert S. Phillips
Professor Chemistry; Biochemistry and Molecular Biology

Enzymes involved in amino acid, especially tryptophan, metabolism which may be drug targets for cancer, hypertension and neurodegenerative diseases.

Photo of Arthur Roberts
Arthur Roberts
Assistant Professor Pharmaceutical & Biomedical Sciences; Toxciology

Development of high-throughput structural biology tools, biophysical methods, NMR, and computer-aided drug-design to investigate drug-protein interactions and human disease.

Photo of John Rose
John Rose
Associate Professor Biochemistry & Molecular Biology

X-ray structural biology, the mitochondrial inner membrane space transport system, structure based vaccine and therapeutic design, improved/automated methods for synchrotron SAD data collection and structure determination.

Photo of Heinz-Bernd Schuttler
Heinz-Bernd Schuttler
Professor Bioinformatics

Computational biology, functional genomics, kinetics of biochemical reaction networks.

Photo of Lianchun Wang
Lianchun Wang
Associate Professor, Georgia Cancer Coalition Scholar Biochemistry & Molecular Biology

Heparan sulfate proteoglycan, angiogenesis, tumorigenesis, tumor metastasis, stem cell, coagulation.

Photo of Steven E. Wheeler
Steven E. Wheeler
Associate Professor Chemistry

Computational organic chemistry, focusing on non-covalent interactions, asymmetric catalysis, and drug design.

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Photo of Robert J. Woods
Robert J. Woods
Professor Biochemistry & Molecular Biology

Immunological carbohydrate-protein interactions studied by computational simulation and experimental methods.

Photo of Shaying Zhao
Shaying Zhao
Associate Professor Biochemistry & Molecular Biology; Bioinformatics

Cancer genomics; human junk DNA; genomic instability.

Photo of Y. George Zheng
Y. George Zheng
Associate Professor, Georgia Cancer Coalition Distinguished Scholar Pharmaceutical & Biomedical Sciences

Chemical biology, epigenetics and chromatin, medicinal chemistry, drug discovery, organic synthesis, bioorganic chemistry, posttranslational modification, molecular biology, biochemistry, enzymology, and bioinformatics.

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