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Biological and Medicinal Chemistry

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Markus A. Lill

5 results in Authors: Markus A. Lill

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

599

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Materials Science

Modular Protein Architectures for pH-Dependent Interactions and Switchable Assembly of Nanocellulose

Sanni Voutilainen, Arja Paananen, Martina Lille, Markus Linder

Version 1 posted 19 April 2019

727

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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

763

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Theoretical and Computational Chemistry

Potential Inhibitors for Novel Coronavirus Protease Identified by Virtual Screening of 606 Million Compounds

André Fischer, Manuel Sellner, Santhosh Neranjan, Markus A. Lill, Martin Smieško

Version 2 posted 20 April 2020

9,485

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2

Citations

Theoretical and Computational Chemistry

Combining Bayesian optimization with sequence- or structure-based strategies for optimization of protein-peptide binding

Jérôme Eberhardt, Aidan Lees, Markus Lill, Torsten Schwede

Version 2 posted 17 April 2024

504

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