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enzyme-catalysis

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pujanajmera / pycpet

Computing Protein Electric Field Topology in python, built for high-throughput accelerated calculations

enzyme molecular-dynamics computational-chemistry electrostatics simulation-analysis enzyme-catalysis electric-field

Updated Jan 20, 2026
Python

kernlab-scripps / kernlab-scripps.github.io

Kern Lab website

protein-dynamics nmr-spectroscopy brandeis-university kern-lab enzyme-catalysis

Updated Mar 12, 2026
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