Bioexcel webinar #90: Mastering the Accelerated Weight Histogram Method: from Principles to Practice
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YouTubeBioExcel CoE
Bioexcel webinar #90: Mastering the Accelerated Weight Histogram Method: from Principles to Practice
The Accelerated Weight Histogram method (AWH) is an enhanced sampling technique for molecular dynamics simulations, capable of speeding up expensive computational tasks such as sampling protein conformational changes or computing binding free energies. Here, we present two new tutorials on how to use AWH within the molecular dynamics engine ...
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