Prediction of Accurate Binding Modes Using Combination of Classical and Accelerated Molecular Dynamics and Free-Energy Perturbation Calculations: An Application to Toxicity Studies

Prediction of Accurate Binding Modes Using Combination of Classical and Accelerated Molecular Dynamics and Free-Energy Perturbation Calculations: An Application to Toxicity Studies

Bibliographic Details
Main Authors:	Filip Fratev, Thomas Steinbrecher, Svava Ósk Jónsdóttir
Format:	Article
Language:	English
Published:	American Chemical Society 2018-04-01
Series:	ACS Omega
Online Access:	http://dx.doi.org/10.1021/acsomega.8b00123

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