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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
0:32
JCIM_JCTC's profile picture

#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 Aufrufe • vor 1 Jahr

#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
JCIM_JCTC's profile picture

#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 Aufrufe • vor 1 Jahr

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

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

JCIM & JCTC Journals

11,412 Aufrufe • vor 2 Jahren

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