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Presentation at the Vertex Free Energy Workshop

posted Jun 9, 2016, 12:01 PM by Emilio Gallicchio   [ updated Jun 9, 2016, 12:04 PM ]
This Free Energy Workshop has been held at Vertex's headquarters in Boston last May. It attracts the best practitioners in the area of free energy modeling for biological and pharmaceutical applications. I like it especially because people here are not afraid of exposing problems and challenges. I talked about our latest attempts at employing single-decoupling alchemical transformation to compute the absolute binding free energies of protein-peptide complexes. Slides and animations are below:


https://docs.google.com/viewer?a=v&pid=sites&srcid=ZGVmYXVsdGRvbWFpbnxlbWlsaW9nYWxsaWNjaGlvbGFifGd4OjNiMzQzMTBkYTlmOTc5OTI

    

YouTube Video

YouTube Video

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Emilio Gallicchio,
Jun 9, 2016, 12:01 PM
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