"Free Energy Predictions of Ligand Binding to an α-Helix Using Steered ..."

Jan K. Marzinek et al. (2014)

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DOI: 10.1021/CI500164Q

access: closed

type: Journal Article

metadata version: 2020-09-05

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Jan K. Marzinek, Peter J. Bond, Guoping Lian, Yanyan Zhao, Lujia Han, Massimo G. Noro, Efstratios N. Pistikopoulos, Athanasios Mantalaris:
Free Energy Predictions of Ligand Binding to an α-Helix Using Steered Molecular Dynamics and Umbrella Sampling Simulations. J. Chem. Inf. Model. 54(7): 2093-2104 (2014)

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