List of works - Rainer Wilcken

Addressing Methionine in Molecular Design through Directed Sulfur–Halogen Bonds

scientific article from 2011

Arylpiperidines as a new class of oxidosqualene cyclase inhibitors.

scientific article published on 17 December 2015

Benchmarking Different QM Levels for Usage with COSMO-RS

scientific article published on 06 November 2019

Discovery and Optimization of Novel SUCNR1 Inhibitors: Design of Zwitterionic Derivatives with a Salt Bridge for the Improvement of Oral Exposure

scientific article published on 28 August 2020

Discovery of novel pyrrolidineoxy-substituted heteroaromatics as potent and selective PI3K delta inhibitors with improved physicochemical properties

scientific article published on 27 October 2016

Experimental and Theoretical Evaluation of the Ethynyl Moiety as a Halogen Bioisostere

scientific article published on 17 September 2015

Exploiting Transient Protein States for the Design of Small-Molecule Stabilizers of Mutant p53.

scientific article published on December 2015

Halogen-Enriched Fragment Libraries as Leads for Drug Rescue of Mutant p53

scientific article

Halogen-enriched fragment libraries as chemical probes for harnessing halogen bonding in fragment-based lead discovery

scientific article

Harnessing Fluorine-Sulfur Contacts and Multipolar Interactions for the Design of p53 Mutant Y220C Rescue Drugs

scientific article

Kinetic mechanism of p53 oncogenic mutant aggregation and its inhibition ⬇️

scientific article published on August 6, 2012

Lithocholic acid is an endogenous inhibitor of MDM4 and MDM2.

scientific article

Machine learning estimates of natural product conformational energies

scientific article published on 16 January 2014

Mutations in sphingosine-1-phosphate lyase cause nephrosis with ichthyosis and adrenal insufficiency

scientific article published on 06 February 2017

Principles and applications of halogen bonding in medicinal chemistry and chemical biology

scientific article published on 3 January 2013

ReSCoSS: a flexible quantum chemistry workflow identifying relevant solution conformers of drug-like molecules

scientific article published on 17 August 2020

Small molecule induced reactivation of mutant p53 in cancer cells

scientific article

Structure of the SAS-6 cartwheel hub from Leishmania major

scientific article

Synthesis and molecular modeling of novel tetrahydro-β-carboline derivatives with phosphodiesterase 5 inhibitory and anticancer properties.

scientific article published on 28 December 2010

Targeting histidine side chains in molecular design through nitrogen-halogen bonds.

scientific article

Tracing the evolution of the p53 tetramerization domain

scientific article

List of works by Rainer Wilcken

Addressing Methionine in Molecular Design through Directed Sulfur–Halogen Bonds

Arylpiperidines as a new class of oxidosqualene cyclase inhibitors.

Benchmarking Different QM Levels for Usage with COSMO-RS

Discovery and Optimization of Novel SUCNR1 Inhibitors: Design of Zwitterionic Derivatives with a Salt Bridge for the Improvement of Oral Exposure

Discovery of novel pyrrolidineoxy-substituted heteroaromatics as potent and selective PI3K delta inhibitors with improved physicochemical properties

Experimental and Theoretical Evaluation of the Ethynyl Moiety as a Halogen Bioisostere

Exploiting Transient Protein States for the Design of Small-Molecule Stabilizers of Mutant p53.

Halogen-Enriched Fragment Libraries as Leads for Drug Rescue of Mutant p53

Halogen-enriched fragment libraries as chemical probes for harnessing halogen bonding in fragment-based lead discovery

Harnessing Fluorine-Sulfur Contacts and Multipolar Interactions for the Design of p53 Mutant Y220C Rescue Drugs

Kinetic mechanism of p53 oncogenic mutant aggregation and its inhibition ⬇️

Lithocholic acid is an endogenous inhibitor of MDM4 and MDM2.

Machine learning estimates of natural product conformational energies

Mutations in sphingosine-1-phosphate lyase cause nephrosis with ichthyosis and adrenal insufficiency

Principles and applications of halogen bonding in medicinal chemistry and chemical biology

ReSCoSS: a flexible quantum chemistry workflow identifying relevant solution conformers of drug-like molecules

Small molecule induced reactivation of mutant p53 in cancer cells

Structure of the SAS-6 cartwheel hub from Leishmania major

Synthesis and molecular modeling of novel tetrahydro-β-carboline derivatives with phosphodiesterase 5 inhibitory and anticancer properties.

Targeting histidine side chains in molecular design through nitrogen-halogen bonds.

Tracing the evolution of the p53 tetramerization domain