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Biological and Medicinal Chemistry

(2)

Theoretical and Computational Chemistry

(2)

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Working Paper

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Amr Mahmoud

2 results in Authors: Amr Mahmoud

Biological and Medicinal Chemistry

Improving Atom Type Diversity and Sampling in Co-Solvent Simulations Using λ-Dynamics

Amr Mahmoud, Ying Yang, Markus Lill

Version 1 posted 09 January 2019

605

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Biological and Medicinal Chemistry

Elucidating the Multiple Roles of Hydration in Protein-Ligand Binding via Layerwise Relevance Propagation and Big Data Analytics

Markus Lill, Ying Yang, Amr Mahmoud, Matthew Masters

Version 1 posted 15 February 2019

774

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