Top Tweets for #DGenFF

over 4 years ago

We are delighted to share our work on automated prediction of electrostatic parameters using neural network model in the context of #Drude #Polarizable #ForceField. This work forms the backbone of generalizing Drude FF to novel drug like molecules. #DGenFF https://t.co/nzEEqN73aS

Payal Chatterjee @PayalChatterj14

about 6 years ago

Check out the continuing development of Drude General Force Field (DGenFF) #Drude #DGenFF on #ACSSciMeet Questions are welcome! Check out my ACS poster: https://t.co/RnqRnFQ2WW

Alex MacKerell @alex_mackerell

over 7 years ago

An important step towards a general force field for drug-like molecules based on the polarizable Drude force field. #DGenFF

Payal Chatterjee @PayalChatterj14

over 7 years ago

Our first step towards prediction of electrostatic parameters for small molecules in Drude polarizable force field #drude https://t.co/TmuXfNvqWF

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