Physikalische Chemie mit Schwerpunkt Experimentelle Biophysikalische Chemie
- Beziehungen:
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- The mid-region of parathyroid hormone (1-34) serves as a functional docking domain in receptor activation
- Perturbation Approaches for Exploring Protein Binding Site Flexibility to Predict Transient Binding Pockets
- Fluctuating Open Teams (FLOT) – A New Approach to Boost Team Creativity and Innovation Potential
- Identification of Lysosomotropism using Explainable Machine Learning and Morphological Profiling Cell Painting Data
- Identification of Lysosomotropism using Explainable Machine Learning and Morphological Profiling Cell Painting Data
- Identification of SARS-CoV-2 Mpro inhibitors through deep reinforcement learning for de novo drug design and computational chemistry approaches
- FSL-CP: a benchmark for small molecule activity few-shot prediction using cell microscopy images
- FSL-CP: A Benchmark for Small Molecule Activity Few-Shot Prediction using Cell Microscopy Images
- Selection of Fragments for Kinase Inhibitor Design: Decoration Is Key
- Adenosine-Phosphate-Fueled, Temporally Programmed Supramolecular Polymers with Multiple Transient States
- Transient Helicity: Fuel-Driven Temporal Control over Conformational Switching in a Supramolecular Polymer
- ATP-Driven Synthetic Supramolecular Assemblies: From ATP as a Template to Fuel
- Self-Sorted, Random, and Block Supramolecular Copolymers via Sequence Controlled, Multicomponent Self-Assembly
- Supramolecular Stability of Benzene-1,3,5-tricarboxamide Supramolecular Polymers in Biological Media: Beyond the Stability-Responsiveness Trade-off
- PDB2PQR: expanding and upgrading automated preparation of biomolecular structures for molecular simulations
- Large-Scale Assessment of Binding Free Energy Calculations in Active Drug Discovery Projects
- Towards Precision and Adaptive Supramolecular Materials
- Dilution-induced gel-sol-gel-sol transitions by competitive supramolecular pathways in water
- Visualization of Stereoselective Supramolecular Polymers by Chirality-Controlled Energy Transfer
- Bio- inspired temporal regulation of ion- transport in nanochannels
- Controlled synthesis of organic two-dimensional nanostructures via reaction-driven, cooperative supramolecular polymerization
- Nanoscale Engineering of Graphene-Viologen Based 3D Covalent Organic Polymer Interfaces Leading to Efficient Charge-Transfer for Pseudocapacitive Energy Storage
- Temporal switching of an amphiphilic self assembly by a chemical fuel-driven conformational response
- Active Bicomponent Nanoparticle Assembly with Temporal, Microstructural, and Functional Control
- Formation of Two-Dimensional Network of Organic Charge-Transfer Complexes at the Air-Water Interface
- Redox-Mediated, Transient Supramolecular Charge-Transfer Gel and Ink
- Chemical fuel-driven living and transient supramolecular polymerization
- Facilitating functionalization of benzene-1,3,5-tricarboxamides by switching amide connectivity
- Facile solvothermal synthesis of highly active and robust Pd1.87Cu0.11Sn electrocatalyst towards direct ethanol fuel cell applications
- Redox-Mediated Transient Reconfiguration of a Supramolecular Assembly
- Bioinspired temporal supramolecular polymerization
- Temporally Controlled Supramolecular Polymerization
- Can super-resolution microscopy become a standard characterization technique for materials chemistry?
- Targeting oncogenic KRasG13C with nucleotide-based covalent inhibitors
- Count on kappa
- A selective chemical probe for exploring the role of CDK8 and CDK19 in human disease
- OCEAN: Optimized Cross rEActivity estimatioN
- TRAPP: A Tool for Analysis of Transient Binding Pockets in Proteins
- Computational approaches to predict drug metabolism
- Who cares for the protons?
- Protonation changes upon ligand binding to trypsin and thrombin: Structural interpretation based on pKa calculations and ITC experiments
- Atypical protonation states in the active site of HIV-1 protease: A computational study
- Tracing changes in protonation: A prerequisite to factorize thermodynamic data of inhibitor binding to aldose reductase
- VSFlow: an open-source ligand-based virtual screening tool
- Structure of the epimerization domain of tyrocidine synthetase A
- Discovery of Potent, Selective, and Orally Bioavailable Small-Molecule Modulators of the Mediator Complex-Associated Kinases CDK8 and CDK19
- Building In Silico Models to Trigger Retesting: A Strategy on How to Use Predictive Models to Identify Potentially Incorrect In Vitro Intrinsic Clearance Results
- LigpKa – a database of pKa values for small molecule ligands designed for the use in structure-based pKa calculations
- Structure-based optimization of non-peptidic Cathepsin D inhibitors
- Structural and chemical insights into the covalent-allosteric inhibition of the protein kinase Akt
- Discovery of potent and selective CDK8 inhibitors from an HSP90 pharmacophore
- Machine learning meets pKa
- Machine learning meets pKa
- Binding Pose Flip Explained via Enthalpic and Entropic Contributions
- Chasing Protons: How Isothermal Titration Calorimetry, Mutagenesis, and pKa Calculations Trace the Locus of Charge in Ligand Binding to a tRNA-Binding Enzyme
- Pseudonatural Products Occur Frequently in Biologically Relevant Compounds
- 2,8-Disubstituted-1,6-Naphthyridines and 4,6-Disubstituted-Isoquinolines with Potent, Selective Affinity for CDK8/19
- Resistance to Avapritinib in PDGFRA-Driven GIST Is Caused by Secondary Mutations in the PDGFRA Kinase Domain
- hERG Me Out
- Development, validation, and application of adapted PEOE charges to estimate pKa values of functional groups in protein-ligand complexes
- Blind, one-eyed, or eagle-eyed? pKa calculations during blind predictions with staphylococcal nuclease
- Light-Activatable TET-Dioxygenases Reveal Dynamics of 5-Methylcytosine Oxidation and Transcriptome Reorganization
- Structure-Based Optimization of Potent, Selective, and Orally Bioavailable CDK8 Inhibitors Discovered by High-Throughput Screening
- Applications of machine learning in drug discovery and development
- Targeting oncogenic KRasG13C with nucleotide-based covalent inhibitors
Besitzt PublikationDie Publikationsliste für die Kategorie "Organisationseinheit" zeigt alle Publikationen, die der einzelnen Organisationseinheit direkt zugeordnet sind. Für eine Liste, die auch alle Publikationen von untergeordneten Organisationseinheiten inkludiert, nutzen Sie die Liste in der Facette "Organisationseinheit".
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