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JCIM & JCTC Journals

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Tweets from Journal of Chemical Information and Modeling (JCIM) and Journal of Chemical Theory and Computation (JCTC) from @ACSPublications

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#HighlightOfTheWeek Video showing fluctuation of cyclic peptide in the binding groove of RNA. Work by Tarak Karmakar, Nisha Kumari and Sonam. #compchem
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#HighlightOfTheWeek Video showing fluctuation of cyclic peptide in the binding groove of RNA. Work by Tarak Karmakar, Nisha Kumari and Sonam. #compchem

JCIM & JCTC Journals

13,573 views • 1 year ago

#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
0:32
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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

11,287 views • 1 year ago

#HighlightOfTheWeek Intramolecular proton transfer in glycine obtained using enhanced-sampling molecular dynamics simulations and deep learning potentials. #compchem
0:50
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#HighlightOfTheWeek Intramolecular proton transfer in glycine obtained using enhanced-sampling molecular dynamics simulations and deep learning potentials. #compchem

JCIM & JCTC Journals

11,412 views • 2 years ago

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