Jenke Scheen on Muck Rack

Jenke Scheen

As seen in: ACS Publications
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Articles

A Computational Community Blind Challenge on Pan-Coronavirus Drug Discovery Data

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By Hugo MacDermott-Opeskin, Jenke Scheen, Cas Wognum
| dx.doi.org
Open in Who Shared Issue with article?

IMERGE-FEP: Improving Relative Free Energy Calculation Convergence with Chemical Intermediates

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By Linde Schoenmaker, Daan A. Jiskoot, Jenke Scheen, Evien Cheng
| ACS Publications
Special Issue Published as part of The Journal of Physical Chemistry B special issue “Applications of Free-Energy Calculations to Biomolecular Processes”. Introduction Click to copy section linkSection link copied! A large part of early stage drug discovery consists of finding and optimizing hit compounds. This involves the enhancement of ligand-target binding and pharmacokinetic properties. To make this process more efficient, computational techniques can be employed.
Open in Who Shared Issue with article?

IMERGE-FEP: Improving Relative Free Energy Calculation Convergence with Chemical Intermediates

|
By Linde Schoenmaker, Daan A. Jiskoot, Jenke Scheen, Evien Cheng
| dx.doi.org
Special Issue Published as part of The Journal of Physical Chemistry B special issue “Applications of Free-Energy Calculations to Biomolecular Processes”. Introduction Click to copy section linkSection link copied! A large part of early stage drug discovery consists of finding and optimizing hit compounds. This involves the enhancement of ligand-target binding and pharmacokinetic properties. To make this process more efficient, computational techniques can be employed.
Open in Who Shared Issue with article?
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