Mobley Lab at UC Irvine
Binding free energies, molecular interactions, solvation thermodynamics, and statistical mechanics of biomolecules
- 54 followers
- University of California, Irvine
- http://www.mobleylab.org
Popular repositories
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drug-computing
drug-computing PublicEducational materials for, and related to, UC Irvine's Drug Discovery Computing Techniques course (PharmSci 175/275), currently taught by David Mobley.
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alchemical-analysis
alchemical-analysis PublicAn open tool implementing some recommended practices for analyzing alchemical free energy calculations
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basic_simulation_training
basic_simulation_training PublicA document for the Living Journal of Computational Molecular Science (LiveCoMS) which describes basic training for molecular simulations (oriented towards molecular dynamics (MD)), providing some t…
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benchmarksets
benchmarksets PublicBenchmark sets for binding free energy calculations: Perpetual review paper, discussion, datasets, and standards
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