230 citations
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Showing 2019Show all
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q-bio.BM2019★ 55 cited
Estimation of Protein-Ligand Unbinding Kinetics Using Non-Equilibrium Targeted Molecular Dynamics Simulations
Steffen Wolf, Marta Amaral, Maryse Lowinski +8
We here report on non-equilibrium targeted Molecular Dynamics simulations as tool for the estimation of protein-ligand unbinding kinetics. Correlating simulations with experimental…
stat.AP2019
Estimation of group means in generalized linear mixed models
Jiexin Duan, Michael Levine, Junxiang Luo +1
In this manuscript, we investigate the concept of the mean response for a treatment group mean as well as its estimation and prediction for generalized linear models with a subject…