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Arjun Saha

  • Assistant Professor, Chemistry & Biochemistry

Education

  • Post-Doctoral Research Associate, University of Southern California, Los Angeles, (, 2013 Chemistry Nobel Laureate)
  • Post-Doctoral Scientist, , San Diego
  • Ph.D. in Physical Chemistry, Indiana University, Bloomington ()
  • MS in Chemistry, University of North Bengal, Siliguri, West Bengal, India
  • BS in Chemistry, University of North Bengal, Siliguri, West Bengal, India

Teaching Schedule

Course Num Title Meets
CHEM 561-401 Physical Chemistry I WF 12:30pm-1:45pm
CHEM 561-601 Physical Chemistry I F 2pm-2:50pm
CHEM 561G-401 Physical Chemistry I WF 12:30pm-1:45pm
CHEM 561G-601 Physical Chemistry I F 2pm-2:50pm
CHEM 762-001 Topics in Physical Chemistry: Computer Modeling in Chemistry MW 3:30pm-4:45pm
CHEM 935-001 Advanced Seminar in Physical Chemistry No Meeting Pattern

Research Interests

Research in Saha lab will involve development and application of novel computational chemistry and biophysics approaches to gain fundamental understanding of remarkable biological processes and their relation to complex diseases. This knowledge will further be used to design small molecules either to inhibit or to enhance particular biological function facilitating drug discovery for cancer and neurodegenerative diseases (e.g., Alzheimer’s, Parkinson’s, Dementia). To achieve this goal, state-of-the-art computer aided drug discovery techniques will be implemented in collaboration with medicinal chemistry, biochemistry and experimental biophysical research groups (both in academia and in pharmaceutical industry). Researchers in Saha lab will develop skills and expertise in advanced molecular modeling techniques (e.g., Machine Learning, Coarse grained Molecular Dynamics, Quantum Mechanics/Molecular Mechanics, Cheminformatics) as well as simulated exposure to computational drug discovery research as in Big Pharma.

Projects

  • Understanding protein misfolding through machine learning and large-scale molecular dynamics simulation.
  • Design of covalent inhibitors for ubiquitin proteasome system through computational enzymology.
  • Understanding mechanochemical process in motor proteins through electrostatic-enhanced coarse-grained molecular dynamics.

Selected Publications

Deepa Jonnalagadda,† Yasuyuki Kihara,† Aran Groves,† Manisha Ray, Arjun Saha, Hyeon-Cheol Lee, Tomomi Furihata, Takehiko Yokomizo, Edward V. Quadros, Richard Rivera, Jerold Chun “” (Under review) (†Co-First author).
Jiao Zhou, Arjun Saha*, Ziwei Huang*, Arieh Warshel* “” Journal of the American Chemical Society, 2022, 144, 7568.
Arjun Saha, Arieh Warshel* “” Proceedings of the National Academy of Sciences of the United States of America2021118, e2104245118.
Vikrant Tripathy, Arjun Saha,* Krishnan Raghavachari,* “” Journal of Computational Chemistry202142, 719.
Arjun SahaGabriel Oanca, Dibyendu Mondal and Arieh Warshel* “” Journal of Physical Chemistry B 2020124, 5626.
Gabriel Oanca, Mojgan Asadi, Arjun Saha, Balajee Ramachandran, Arieh Warshel* “” Journal of Physical Chemistry B 2020124, 11349.
Arjun Saha, Teena Varghese, Annie Liu, Tara Mirzadegan and Michael Hack* “” Journal of Chemical Information and Modeling201858, 2057.
Arjun Saha, Amy Shih, Tara Mirzadegan and Mark Seierstad* “” Journal of Chemical Theory and Computation201814, 5815.
Manisha Ray, Arjun Saha, Krishnan Raghavachari, “” Chem. Chem. Phys.201618, 25687.
Krishnan Raghavachari* and Arjun Saha, “” Chemical Reviews2015115, 5643.