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List of works by Marcus Wieder

A Molecular Dynamics-Shared Pharmacophore Approach to Boost Early-Enrichment Virtual Screening: A Case Study on Peroxisome Proliferator-Activated Receptor α.

scientific article

A daily single dose of a novel modafinil analogue CE-123 improves memory acquisition and memory retrieval.

scientific article published on 31 January 2018

Alchemical free energy simulations without speed limits. A generic framework to calculate free energy differences independent of the underlying molecular dynamics program

scientific article published on 29 April 2022

Common Hits Approach: Combining Pharmacophore Modeling and Molecular Dynamics Simulations.

scientific article published on 10 January 2017

Comparing pharmacophore models derived from crystal structures and from molecular dynamics simulations

scientific article

Computational Identification of Novel Kir6 Channel Inhibitors.

scientific article published on 24 May 2019

Discovery of Potent Inhibitors for the Large Neutral Amino Acid Transporter 1 (LAT1) by Structure-Based Methods ⬇️

journal article from 'International Journal of Molecular Sciences' published in 2019

Dummy Atoms in Alchemical Free Energy Calculations

scientific article published on 14 June 2021

Evaluating the stability of pharmacophore features using molecular dynamics simulations

article

Heterocyclic Analogues of Modafinil as Novel, Atypical Dopamine Transporter Inhibitors.

scientific article published in November 2017

Identification of the putative binding pocket of valerenic acid on GABAA receptors using docking studies and site-directed mutagenesis.

scientific article published on 16 September 2015

SAR-Guided Scoring Function and Mutational Validation Reveal the Binding Mode of CGS-8216 at the α1+/γ2– Benzodiazepine Site

scientific article published on 08 August 2018

Structure-Activity Relationships of Novel Thiazole-Based Modafinil Analogues Acting at Monoamine Transporters

scientific article published on 30 December 2019

The Use of Dynamic Pharmacophore in Computer-Aided Hit Discovery: A Case Study

scientific article published on 01 January 2018

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