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Sire: An interoperability engine for prototyping algorithms and exchanging information between molecular simulation programs.

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Title: Sire: An interoperability engine for prototyping algorithms and exchanging information between molecular simulation programs.
Authors: Woods CJ; Advanced Computing Research Centre, University of Bristol, Bristol, United Kingdom.; Centre for Computational Chemistry, School of Chemistry, University of Bristol, Bristol, United Kingdom.; OpenBioSim Community Interest Company, Edinburgh, United Kingdom., Hedges LO; Advanced Computing Research Centre, University of Bristol, Bristol, United Kingdom.; OpenBioSim Community Interest Company, Edinburgh, United Kingdom., Mulholland AJ; Centre for Computational Chemistry, School of Chemistry, University of Bristol, Bristol, United Kingdom., Malaisree M; Centre for Computational Chemistry, School of Chemistry, University of Bristol, Bristol, United Kingdom., Tosco P; Cresset, Cambridgeshire, United Kingdom., Loeffler HH; Cresset, Cambridgeshire, United Kingdom., Suruzhon M; Exscientia Plc., Oxford, United Kingdom., Burman M; OpenBioSim Community Interest Company, Edinburgh, United Kingdom., Bariami S; EaStCHEM School of Chemistry, University of Edinburgh, Edinburgh, United Kingdom., Bosisio S; EaStCHEM School of Chemistry, University of Edinburgh, Edinburgh, United Kingdom., Calabro G; EaStCHEM School of Chemistry, University of Edinburgh, Edinburgh, United Kingdom., Clark F; EaStCHEM School of Chemistry, University of Edinburgh, Edinburgh, United Kingdom., Mey ASJS; EaStCHEM School of Chemistry, University of Edinburgh, Edinburgh, United Kingdom., Michel J; OpenBioSim Community Interest Company, Edinburgh, United Kingdom.; EaStCHEM School of Chemistry, University of Edinburgh, Edinburgh, United Kingdom.
Source: The Journal of chemical physics [J Chem Phys] 2024 May 28; Vol. 160 (20).
Publication Type: Journal Article
Journal Info: Publisher: American Institute of Physics Country of Publication: United States NLM ID: 0375360 Publication Model: Print Cited Medium: Internet ISSN: 1089-7690 (Electronic) Linking ISSN: 00219606 NLM ISO Abbreviation: J Chem Phys Subsets: MEDLINE; PubMed not MEDLINE
Database: MEDLINE Ultimate
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  Data: <searchLink fieldCode="AU" term="%22Woods+CJ%22">Woods CJ</searchLink>; Advanced Computing Research Centre, University of Bristol, Bristol, United Kingdom.; Centre for Computational Chemistry, School of Chemistry, University of Bristol, Bristol, United Kingdom.; OpenBioSim Community Interest Company, Edinburgh, United Kingdom.<br /><searchLink fieldCode="AU" term="%22Hedges+LO%22">Hedges LO</searchLink>; Advanced Computing Research Centre, University of Bristol, Bristol, United Kingdom.; OpenBioSim Community Interest Company, Edinburgh, United Kingdom.<br /><searchLink fieldCode="AU" term="%22Mulholland+AJ%22">Mulholland AJ</searchLink>; Centre for Computational Chemistry, School of Chemistry, University of Bristol, Bristol, United Kingdom.<br /><searchLink fieldCode="AU" term="%22Malaisree+M%22">Malaisree M</searchLink>; Centre for Computational Chemistry, School of Chemistry, University of Bristol, Bristol, United Kingdom.<br /><searchLink fieldCode="AU" term="%22Tosco+P%22">Tosco P</searchLink>; Cresset, Cambridgeshire, United Kingdom.<br /><searchLink fieldCode="AU" term="%22Loeffler+HH%22">Loeffler HH</searchLink>; Cresset, Cambridgeshire, United Kingdom.<br /><searchLink fieldCode="AU" term="%22Suruzhon+M%22">Suruzhon M</searchLink>; Exscientia Plc., Oxford, United Kingdom.<br /><searchLink fieldCode="AU" term="%22Burman+M%22">Burman M</searchLink>; OpenBioSim Community Interest Company, Edinburgh, United Kingdom.<br /><searchLink fieldCode="AU" term="%22Bariami+S%22">Bariami S</searchLink>; EaStCHEM School of Chemistry, University of Edinburgh, Edinburgh, United Kingdom.<br /><searchLink fieldCode="AU" term="%22Bosisio+S%22">Bosisio S</searchLink>; EaStCHEM School of Chemistry, University of Edinburgh, Edinburgh, United Kingdom.<br /><searchLink fieldCode="AU" term="%22Calabro+G%22">Calabro G</searchLink>; EaStCHEM School of Chemistry, University of Edinburgh, Edinburgh, United Kingdom.<br /><searchLink fieldCode="AU" term="%22Clark+F%22">Clark F</searchLink>; EaStCHEM School of Chemistry, University of Edinburgh, Edinburgh, United Kingdom.<br /><searchLink fieldCode="AU" term="%22Mey+ASJS%22">Mey ASJS</searchLink>; EaStCHEM School of Chemistry, University of Edinburgh, Edinburgh, United Kingdom.<br /><searchLink fieldCode="AU" term="%22Michel+J%22">Michel J</searchLink>; OpenBioSim Community Interest Company, Edinburgh, United Kingdom.; EaStCHEM School of Chemistry, University of Edinburgh, Edinburgh, United Kingdom.
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  Data: <searchLink fieldCode="JN" term="%220375360%22">The Journal of chemical physics</searchLink> [J Chem Phys] 2024 May 28; Vol. 160 (20).
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  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22American+Institute+of+Physics%22">American Institute of Physics </searchLink><i>Country of Publication: </i>United States <i>NLM ID: </i>0375360 <i>Publication Model: </i>Print <i>Cited Medium: </i>Internet <i>ISSN: </i>1089-7690 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2200219606%22">00219606 </searchLink><i>NLM ISO Abbreviation: </i>J Chem Phys <i>Subsets: </i>MEDLINE; PubMed not MEDLINE
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