Prediction of Accurate Binding Modes Using Combination of Classical and Accelerated Molecular Dynamics and Free-Energy Perturbation Calculations: An Application to Toxicity Studies
oleh: Filip Fratev, Thomas Steinbrecher, Svava Ósk Jónsdóttir
| Format: | Article |
|---|---|
| Diterbitkan: | American Chemical Society 2018-04-01 |
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