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Molecular Sciences Software Institute

United States

29 papers here1.1k citations across 29
fields
  • physics.chem-ph11
  • physics.comp-ph9
  • cond-mat.mtrl-sci3
  • q-bio.BM2
  • quant-ph2
  • cs.SE1
  • physics.atom-ph1
ROR 03x8p5f11OpenAlex

affiliations via OpenAlex

output
20182025
most citedBest Practices for Alchemical Free Energy Calculations

289 citations

researchers with a paper here
  • S. Lehtola13 · h 30
  • J. Moussa7 · h 19
  • V. Blum2 profiles4 · h 49
  • Victor Wen-zhe Yu4 · h 12
  • D. Sundholm3 · h 50
  • M. Marques3 · h 54
  • Alberto García2 profiles2 · h 4
  • Heike Fliegl2 · h 29
  • K. Trepte2 · h 14
  • Levi N. Naden2 · h 7
  • M. Dimitrova2 · h 10
  • P. Saxe2 · h 16
collaborating institutions
  • University of HelsinkiFI9 papers
  • Virginia TechUS8 papers
  • Duke UniversityUS4 papers
  • Institut de Ciència de Materials de BarcelonaES3 papers
  • Lawrence Berkeley National LaboratoryUS3 papers
  • University of California, BerkeleyUS3 papers
  • University of CambridgeGB3 papers
  • Barcelona Supercomputing CenterES2 papers
  • European Bioinformatics InstituteGB2 papers
  • Forschungszentrum JülichDE2 papers
  • Martin Luther University Halle-WittenbergDE2 papers
  • Oak Ridge National LaboratoryUS2 papers
Showing 2019 · cs.SEShow all

1 paper · 2 filters

cs.SE2019★ 1 cited

MolSSI and BioExcel Workflow Workshop 2018 Report

Levi N. Naden, Sam Ellis, Shantenu Jha

Workflows in biomolecular science are very important as they are intricately intertwined with the scientific outcomes, as well as algorithmic and methodological innovations. The us…

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Not affiliated with arXiv. Researcher data from Semantic Scholar (ODC-BY) and OpenAlex.