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MDRefine: A Python package for refining molecular dynamics trajectories with experimental data.

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Title: MDRefine: A Python package for refining molecular dynamics trajectories with experimental data.
Authors: Gilardoni I; Scuola Internazionale Superiore di Studi Avanzati, SISSA, Via Bonomea, 265, 34136 Trieste, Italy., Piomponi V; Area Science Park, Località Padriciano, 99, 34149 Trieste, Italy., Fröhlking T; University of Geneva, 1206 Genève, Switzerland., Bussi G; Scuola Internazionale Superiore di Studi Avanzati, SISSA, Via Bonomea, 265, 34136 Trieste, Italy.
Source: The Journal of chemical physics [J Chem Phys] 2025 May 21; Vol. 162 (19).
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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PubType: Academic Journal
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  Data: MDRefine: A Python package for refining molecular dynamics trajectories with experimental data.
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  Data: <searchLink fieldCode="AU" term="%22Gilardoni+I%22">Gilardoni I</searchLink>; Scuola Internazionale Superiore di Studi Avanzati, SISSA, Via Bonomea, 265, 34136 Trieste, Italy.<br /><searchLink fieldCode="AU" term="%22Piomponi+V%22">Piomponi V</searchLink>; Area Science Park, Località Padriciano, 99, 34149 Trieste, Italy.<br /><searchLink fieldCode="AU" term="%22Fröhlking+T%22">Fröhlking T</searchLink>; University of Geneva, 1206 Genève, Switzerland.<br /><searchLink fieldCode="AU" term="%22Bussi+G%22">Bussi G</searchLink>; Scuola Internazionale Superiore di Studi Avanzati, SISSA, Via Bonomea, 265, 34136 Trieste, Italy.
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  Data: <searchLink fieldCode="JN" term="%220375360%22">The Journal of chemical physics</searchLink> [J Chem Phys] 2025 May 21; Vol. 162 (19).
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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
PLink https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=mdl&AN=40371829
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        Value: 10.1063/5.0256841
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      – Code: eng
        Text: English
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      – TitleFull: MDRefine: A Python package for refining molecular dynamics trajectories with experimental data.
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            NameFull: Gilardoni I
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            NameFull: Piomponi V
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            – D: 21
              M: 05
              Text: 2025 May 21
              Type: published
              Y: 2025
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              Value: 162
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              Value: 19
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