FEPrepare
FEP prepare is a webserver which automates the set-up procedure for performing NAMD/FEP simulations.
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FEP prepare is a webserver, which automates the set-up procedure for performing NAMD/FEP simulations. Automating free energy perturbation calculations is a step forward to delivering high throughput calculations for accurate predictions of relative binding affinities before a compound is synthesized, and consequently save enormous time and cost.
Resource organization
Resource providers
Soranou Ephesiou 4, 11527 Athens, Greece (EL)
7 Kifisias ave., 11523 Athens, Greece (EL)
Website
Readiness
TRL9
Domain
Subdomain
Category
Subcategory
Target users
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Access mode
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Contact
Zoe
Cournia,
Associate Professor
email: zcournia@bioacademy.gr
phone: +302106597195
