Alex Morehead

Alex Morehead

Hopper Postdoctoral Fellow

National Energy Research Scientific Computing Center (NERSC)

Science Engagement & Workflows Dept.

Data & AI Services Group

Alex Morehead is a Hopper Postdoctoral Fellow in the National Energy Research Scientific Computing Center (NERSC) at Lawrence Berkeley National Laboratory. Alex is broadly interested in machine learning, deep learning, computational biology, and generative modeling. Prior to joining Berkeley Lab, Alex earned a Ph.D. degree from the University of Missouri in the Department of Electrical Engineering and Computer Science.

Education

PhD - University of Missouri, United States

BS - Missouri Western State University, United States

Recent Publications

Protein‐Ligand Structure and Affinity Prediction in CASP16 Using a Geometric Deep Learning Ensemble and Flow Matching

Authors: Morehead, A; Liu, J; Neupane, P; Giri, N; Cheng, J

January 2026, Proteins: Structure, Function and Bioinformatics


FlowDock: Geometric flow matching for generative protein–ligand docking and affinity prediction

Authors: Morehead, A; Cheng, J

July 2025, Bioinformatics


FlowDock: Geometric Flow Matching for Generative Protein-Ligand Docking and Affinity Prediction.

Authors: Morehead, A; Cheng, J

March 2025


Assessing the potential of deep learning for protein–ligand docking

Authors: Morehead, A; Giri, N; Liu, J; Neupane, P; Cheng, J

January 2026, Nature Machine Intelligence


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