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#HighlightOfTheWeek Cosolvent molecular dynamics are an increasingly popular form of MD simulations where small molecule cosolvents are added to the system, helping to identify cryptic and allosteric pockets in proteins. #compchem

JCIM & JCTC Journals

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11,287 次观看 • 1 年前 •via X (Twitter)

教育科学技术新闻政治 #HighlightOfTheWeek #compchem

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#HighlightOfTheWeek Intramolecular proton transfer in glycine obtained using enhanced-sampling molecular dynamics simulations and deep learning potentials. #compchem

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