BCL-XL apoptotic protein --- a drug target in lymphoma. More info coming soon.
Together with project 17800 this is also testing new methodology --- adaptive sampling. This is the adaptive (first time on F@h) sampling version of the system.
Project 17801 tests a 'simpler' version of the problem for the adaptive sampling algorithm --- we start from 35 crystal structures and attempt to connect them into one model.
Project 17802 tests a 'harder' version of the problem --- we start from just 1 crystal structure and attempt to predict the other ones.
List of Contributors
This project is managed by Rafal Wiewiora at Memorial Sloan Kettering Cancer Center.
Graduate Student at Chodera Lab, Memorial Sloan Kettering Cancer Center, New York.
Interested in studying conformational dynamics of proteins using Molecular Dynamics and experimental methods, to make rational drug design better, cheaper and faster. Working with histone methyltransferases - a family of epigenetic regulators implicated in many cancers, aging and drug addiction.
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