Computational Chemistry in Biology Faculty

Learn more about this group by contacting Dr. Arthur Roberts (audie@uga.edu) or Dr. Eva Strauch (estrauch@uga.edu)

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.

« return to Faculty by Interdisciplinary Groups

13CasseraBelen_0

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.
Website

microscope_globe_ILS_image
UGA_douglass-fix copy

Eugene Douglass

Assistant Professor
Pharmaceutical & Biomedical Sciences

Multi-drug resistance(MDR) causes most cancer deaths(Nat. Rev. Cancer 2018, 18, 452). We use organic chemistry, cell biology and data-science to overcome MDR.

Website

Kennedy.Eileen1

Eileen Kennedy

Associate Professor
Pharmaceutical & Biomedical Sciences

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

Website

Morrison Richard

Richard Morrison

Associate Professor
Chemistry

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

Website

Pegan.Scott_1

Scott Pegan

Professor
Pharmaceutical & Biomedical Sciences

Antibiotic & antiviral drug discovery, assay development, enzymology,
and structural biology, regulation of innate immune responses.

Website

PhillipsRobert_0

Robert 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.

Website

roberts_audie

Arthur Roberts

Assistant Professor
Pharmaceutical & Biomedical Sciences; Toxicology

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

Website

Rose_John2017

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.

Website

Schuttler-33609-001-300x300

Heinz-Bernd Schüttler

Professor
Bioinformatics

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

Website

eva_strauch

Eva-Maria Strauch

Assistant Professor
Pharmaceutical and Biomedical Sciences

Protein design and engineering, design of anti-virals and immunogens,
protein chemistry and re-purposing of viral surface proteins,
computational biology

Website

StevenEWheeler

Steven E. Wheeler

Associate Professor
Chemistry

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

robertwoods_145

Robert Woods

Professor
Biochemistry & Molecular Biology

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

Website

GTP_logo
Xie, Zhong-Ru

Zhong-Ru (Paul) Xie

Assistant Professor
Bioinformatics

Computational drug discovery, simulation model, new computational tools for drug design

Website

shaying-300x300

Shaying Zhao

Professor
Biochemistry & Molecular Biology; Bioinformatics

Cancer genomics; human junk DNA; genomic instability.

Website

zheng_george

Y. George Zheng

Professor
Georgia Cancer Coalition Distinguished Scholar
Pharmaceutical & Biomedical Sciences

Drug Development, Chemical Biology, Cancer Disease Mechanism, Epigenetics and Genetics, Histone Modifications, Molecular Biology, Biochemistry, Enzymology, and Biophysics.

Website