Anton Hanke
A5029103128- Computational Drug Discovery Methods
- SARS-CoV-2 and COVID-19 Research
- Nicotinic Acetylcholine Receptors Study
- Ion channel regulation and function
- Lipid Membrane Structure and Behavior
- Chemical Reactions and Isotopes
- RNA and protein synthesis mechanisms
- Electrochemical Analysis and Applications
- Protein Structure and Dynamics
- Mass Spectrometry Techniques and Applications
- Evolution and Genetic Dynamics
- Synthesis and biological activity
- Viral Infectious Diseases and Gene Expression in Insects
- Cellular transport and secretion
- Advanced biosensing and bioanalysis techniques
- vaccines and immunoinformatics approaches
- Click Chemistry and Applications
- Monoclonal and Polyclonal Antibodies Research
- Advanced Electron Microscopy Techniques and Applications
HES-SO University of Applied Sciences and Arts Western Switzerland
2024
University of Geneva
2024
Heidelberg Institute for Theoretical Studies
2020-2024
SIB Swiss Institute of Bioinformatics
2024
RWTH Aachen University
2023
Heidelberg University
2020-2023
Science for Life Laboratory
2022
Stockholm University
2022
Hyogo Institute for Traumatic Stress
2020
The SARS-CoV-2 coronavirus outbreak continues to spread at a rapid rate worldwide. main protease (Mpro) is an attractive target for anti-COVID-19 agents. Unexpected difficulties have been encountered in the design of specific inhibitors. Here, by analyzing ensemble ∼30 000 Mpro conformations from crystallographic studies and molecular simulations, we show that small structural variations binding site dramatically impact ligand properties. Hence, traditional druggability indices fail...
The COVID-19 pandemic continues to pose a substantial threat human lives and is likely do so for years come. Despite the availability of vaccines, searching efficient small-molecule drugs that are widely available, including in low- middle-income countries, an ongoing challenge. In this work, we report results open science community effort, "Billion molecules against challenge", identify inhibitors SARS-CoV-2 or relevant receptors. Participating teams used wide variety computational methods...
Dimerization of the small GTPase Arf is prerequisite for scission COPI-coated transport vesicles. Here, we quantify monomer/dimer equilibrium within membrane and show that after scission, dimers are restricted to donor membranes. By hydrogen exchange mass spectrometry, define interface activated dimeric its switch II region. Single amino acid exchanges in this region reduce propensity dimerize. We suggest a mechanism by which form segregated membrane. Our data consistent with previously...
The protective capacity of antibodies targeting circumsporozoite protein on sporozoites the malaria parasite Plasmodium falciparum (PfCSP) is linked to high affinity and cross-reactivity with PfCSP central repeat domain N-terminal junction. However, role somatic hypermutation (SHM) in development such remains unclear. Here we define contributions SHM strong N-junction potent anti-PfCSP monoclonal antibody (mAb) 4493 similar shared maturation trajectories. Molecular dynamics simulations...
The COVID-19 pandemic continues to pose a substantial threat human lives and is likely do so for years come. Despite the availability of vaccines, searching efficient small-molecule drugs that are widely available, including in low- middle-income countries, an ongoing challenge. In this work, we report results community effort, “Billion molecules against Covid-19 challenge”, identify inhibitors SARS-CoV-2 or relevant receptors. Participating teams used wide variety computational methods...
Pentameric ligand-gated ion channels (pLGICs) perform electrochemical signal transduction in organisms ranging from bacteria to humans. Among the prokaryotic pLGICs, there is architectural diversity involving N-terminal domains (NTDs) not found eukaryotic relatives, exemplified by calcium-sensitive channel (DeCLIC) a Desulfofustis deltaproteobacterium, which has an NTD addition canonical pLGIC structure. Here, we have characterized structure and dynamics of DeCLIC through cryoelectron...
Abstract The SARS-CoV-2 coronavirus outbreak continues to spread at a rapid rate worldwide. main protease (Mpro) is an attractive target for anti-COVID-19 agents. Unfortunately, unexpected difficulties have been encountered in the design of specific inhibitors. Here, by analyzing ensemble ~30,000 Mpro conformations from crystallographic studies and molecular simulations, we show that small structural variations binding site dramatically impact ligand properties. Hence, traditional...
Abstract Pentameric ligand-gated ion channels (pLGICs) perform electrochemical signal transduction in organisms ranging from bacteria to humans. Among the prokaryotic pLGICs there is architectural diversity involving N-terminal domains (NTDs) not found eukaryotic relatives, exemplified by calcium-sensitive channel (DeCLIC) a Desulfofustis deltaproteobacterium, which has an NTD addition canonical pLGIC structure. Here we have characterized structure and dynamics of DeCLIC through...