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Publications by Okke Melse
Accurate Prediction of Protein-Ligand Binding by Combined Molecular Dynamics-Based Docking and QM/MM Methods
Biophysical Journal
Biophysics
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The Binding Mode of the Sonic Hedgehog Inhibitor Robotnikinin, a Combined Docking and QM/MM MD Study
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QM/MM (ONIOM) Calculation on FAK/Dasatinib Docking
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Making Classical and Hybrid (QM/MM) Molecular Dynamics Easy and Fast With QwikMD
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Autoencoder-Based Detection of Dynamic Allostery Triggered by Ligand Binding Based on Molecular Dynamics
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Classical Polarization in Hybrid QM/MM Methods
