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Hire Dr. Negin F.

United States

USD 100 /hr

Ph.D. in Computer Science with 10+ Years of Driving Innovation in Biomolecular Modeling through ML/DL and HPC.

Profile Summary

Dr. Negin Forouzesh is a tenured Assistant Professor of Computer Science at Cal State LA and Principal Investigator of the COMB Lab, specializing in biomolecular modeling, machine learning, and high-performance computing. Her research focuses on developing physics-guided computational methods for drug discovery, including accurate estimation of protein-ligand binding energies and virtual screening. She has secured over $1.5M in external funding from NIH and NSF, and her work has been published in leading journals such as JCIM, JCTC, and Biophysical Journal. Current projects include improving implicit solvent models with neural networks and building generative models for ligand design. Dr. Forouzesh’s interdisciplinary research aims to advance the accuracy and scalability of molecular simulations through cutting-edge technology.

Subject Matter Expertise

• ☆ Biochemistry
• ☆ Structural Biology
• ☆ Biophysics
• ☆ Data Analysis
• ☆ Machine Learning
• ☆ Drug Discovery

Services

• Writing
• Research
• Consulting
• Data & AI

Writing Technical Writing

Research Scientific and Technical Research

Consulting Scientific and Technical Consulting

Data & AI Algorithm Design-Non ML, Algorithm Design-ML, Big Data Analytics, Data Insights

Work Experience

Assistant Professor

California State University Los Angeles

2020 - Present

Biomedical Intern

Stanford University

June 2018 - August 2018

Education

PhD (Computer Science)

Virginia Polytechnic Institute and State University

2015 - 2020

MS Computer Science

Amirkabir University of Technology

August 2011 - August 2013

BS Computer Science

Amirkabir University of Technology

August 2007 - August 2011

Certifications

• Independent Improving Your Online Course

  Quality Matters

  October 2021 - Present

Publications

BOOK CHAPTER

Negin Forouzesh, Dikshant Sagar, Ari Jasko (2025). Enhancing Drug Discovery via Physics-Guided Deep Generative Models .

JOURNAL ARTICLE

Negin Forouzesh, Fatemeh Ghafouri, Igor S. Tolokh, Alexey V. Onufriev (2024). Optimal Dielectric Boundary for Binding Free Energy Estimates in the Implicit Solvent . Journal of Chemical Information and Modeling.

Negin Forouzesh, Ali Risheh, Alles Rebel, Paul S. Nerenberg (2024). Calculation of protein-ligand binding entropies using a rule-based molecular fingerprint . Biophysical Journal.

Negin Forouzesh, Shivam Mishra, Missael Corro-Flores, David Krum (2024). Molecular Docking Improved with Human Spatial Perception Using Virtual Reality . IEEE Transactions on Visualization and Computer Graphics.

Negin Forouzesh, Lewis Bass, Luke H. Elder, Dan E. Folescu, Igor S. Tolokh, Anuj Karpatne, Alexey V. Onufriev (2024). Improving the Accuracy of Physics-Based Hydration-Free Energy Predictions by Machine Learning the Remaining Error Relative to the Experiment . Journal of Chemical Theory and Computation.

Negin Forouzesh, Kamal Al Nasr (2023). Editorial: Special Issue “Protein Modeling and Simulation: Selected Articles from the Computational Structural Bioinformatics Workshop 2021” . Biomolecules.

Negin Forouzesh, Kamal Al Nasr (2023). Editorial: Special Issue “Protein Modeling and Simulation: Selected Articles from the Computational Structural Bioinformatics Workshop 2021” . Biomolecules.

Negin Forouzesh, Sahar Cain, Ali Risheh (2022). A Physics-Guided Neural Network for Predicting Protein–Ligand Binding Free Energy: From Host–Guest Systems to the PDBbind Database . Biomolecules.

Negin Forouzesh, Sahar Cain, Ali Risheh (2022). A Physics-Guided Neural Network for Predicting Protein–Ligand Binding Free Energy: From Host–Guest Systems to the PDBbind Database . Biomolecules.

Negin Forouzesh, Nikita Mishra (2021). An Effective MM/GBSA Protocol for Absolute Binding Free Energy Calculations: A Case Study on SARS-CoV-2 Spike Protein and the Human ACE2 Receptor . Molecules.

Negin Forouzesh, Nikita Mishra (2021). An Effective MM/GBSA Protocol for Absolute Binding Free Energy Calculations: A Case Study on SARS-CoV-2 Spike Protein and the Human ACE2 Receptor . Molecules.

Negin Forouzesh, Abhishek Mukhopadhyay, Layne T. Watson, Alexey V. Onufriev (2020). Multidimensional Global Optimization and Robustness Analysis in the Context of Protein–Ligand Binding . Journal of Chemical Theory and Computation.

Negin Forouzesh, Saeed Izadi, Alexey V. Onufriev (2017). Grid-Based Surface Generalized Born Model for Calculation of Electrostatic Binding Free Energies . Journal of Chemical Information and Modeling.

CONFERENCE PAPER

Negin Forouzesh, Dikshant Sagar, Ali Risheh, Nida Sheikh (2023). Physics-Guided Deep Generative Model For New Ligand Discovery .