Jens Meiler
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Crowdsourced Ligand Design for Selective Inhibition of the KNa1.2 (Slick) Potassium Channel implicated in Developmental Epileptic Encephalopathies
A hybrid strategy of small molecule drug design that combined evolutionary and crowd sourced designs yielded novel synthetically accessible candidate inhibitors of the Kna1.2 channel implicated in developmental epileptic encephalopathies. -
Integrating ligand- and receptor-based descriptors in deep neural network QSAR
We demonstrated the functionality of a novel drug discovery technique in a proof-of-concept study. -
Protein Structure Prediction Using Rosetta
The accuracy of protein structure prediction was evaluated using a Rosetta program. -
Predicting Binding Energy of Staphylocoagulase
Computational mutations of protein-protein interfaces. -
The Implementation of Paired Descriptor Functions to Improve Quantitative Structure Activity Relationship Models for Drug Discovery
Authors: Aditya Gudibanda Edward W. Lowe Jr. and Jens Meiler