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Links tagged with 'calixarenes'

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R.E.D.Tool Content

http://q4md-forcefieldtools.org/REDS/ [open in a new window]

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Protein > 3-D Structure Prediction

R.E.D. Server is designed to build force field libraries for new molecules and molecular fragments. One can derive molecular electrostatic potential-based atomic charges embedded in force field libraries for use in force field development, charge validation and molecular dynamics simulations.

links directory index: 6
TitlePublication YearGoogle Scholar Citation Count
R.E.D. Server: a web service for deriving RESP and ESP charges and building force field libraries for new molecules and molecular fragments.20116
NAR Web Server Issue 2011
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tagscalixarenes molecular dynamics simulation quantum theory static electricity

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