Efficient estimation of binding free energies between peptides and an MHC class II molecule using coarse-grained molecular dynamics simulations with a weighted histogram analysis method - researchr publication

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Ming Huang, Wenjun Huang, Fei Wen, Ronald G. Larson. Efficient estimation of binding free energies between peptides and an MHC class II molecule using coarse-grained molecular dynamics simulations with a weighted histogram analysis method. Journal of Computational Chemistry, 38(23):2007-2019, 2017. [doi]

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