Mobley Lab at UC Irvine
- 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
Repositories
- benchmarksets Public
Benchmark sets for binding free energy calculations: Perpetual review paper, discussion, datasets, and standards
- basic_simulation_training Public
A document for the Living Journal of Computational Molecular Science (LiveCoMS) which describes basic training for molecular simulations (oriented towards molecular dynamics (MD)), providing some training itself and linking out to other helpful information elsewhere. The intent is that this provide information on the prerequisites which will be …
- relative-solvation-paper Public
Paper on reproducibility of relative solvation free energies across packages
