Research Area A

2017

Azido Pentoses: A New Tool To Efficiently Label Mycobacterium tuberculosis Clinical Isolates

Ingredients to TICT Formation in Donor Substituted Hemithioindigo

The Endothelial Glycocalyx Controls Interactions of Quantum Dots with the Endothelium and Their Translocation across the Blood–Tissue Border

Rapid Design of Knowledge-Based Scoring Potentials for Enrichment of Near-Native Geometries in Protein-Protein Docking

2016

Protein-protein and peptide-protein docking and refinement using ATTRACT in CAPRI

Recognition of the 3′ splice site RNA by the U2AF heterodimer involves a dynamic population shift

The Preserved HTH-Docking Cleft of HIV-1 Integrase Is Functionally Critical

Computation of indirect nuclear spin–spin couplings with reduced complexity in pure and hybrid density functional approximations

A Dynamic Equilibrium of Three Hydrogen-Bond Conformers Explains the NMR Spectrum of the Active Site of Photoactive Yellow Protein

Single-molecule dissection of stacking forces in DNA

Twisted Hemithioindigo Photoswitches: Solvent Polarity Determines the Type of Light-Induced Rotations

SAXS Data Alone can Generate High-Quality Models of Protein-Protein Complexes

Knotting and unknotting of a protein in single molecule experiments

En route from artificial to natural: Evaluation of inhibitors of mannose-specific adhesion of Escherichia coli under flow

Cell membrane penetration and mitochondrial targeting by platinum-decorated ceria nanoparticles

Secretory cargo sorting by Ca2+-dependent Cab45 oligomerization at the trans-Golgi network

Artificial Formation and Tuning of Glycoprotein Networks on Live Cell Membranes: A Single-Molecule Tracking Study

Sequence-Independent Cloning and Post-Translational Modification of Repetitive Protein Polymers through Sortase and Sfp-Mediated Enzymatic Ligation

Genetically designed biomolecular capping system for mesoporous silica nanoparticles enables receptor-mediated cell uptake and controlled drug release

Single-molecule force spectroscopy on polyproteins and receptor–ligand complexes: The current toolbox

Folding and assembly of the large molecular machine Hsp90 studied in single-molecule experiments

A Stable Mutant Predisposes Antibody Domains to Amyloid Formation through Specific Non-Native Interactions

Communication: An effective linear-scaling atomic-orbital reformulation of the random-phase approximation using a contracted double-Laplace transformation

2015

Quantum Yield of Cyclobutane Pyrimidine Dimer Formation Via the Triplet Channel Determined by Photosensitization

UV-Induced Charge Transfer States in DNA Promote Sequence Selective Self-Repair

Switching first contact: photocontrol of E. coli adhesion to human cells

The Antibody Light-Chain Linker Is Important for Domain Stability and Amyloid Formation

Monovalent Strep-Tactin for strong and site-specific tethering in nanospectroscopy

A tunable azine covalent organic framework platform for visible light-induced hydrogen generation

2’-Methoxyacetophenone: An Efficient Photosensitizer for Cyclobutane Pyrimidine Dimer Formation

Structural, Biochemical, and Computational Studies Reveal the Mechanism of Selective Aldehyde Dehydrogenase 1A1 Inhibition by Cytotoxic Duocarmycin Analogues

Microdomain Formation Controls Spatiotemporal Dynamics of Cell-Surface Glycoproteins

Nucleotides regulate the mechanical hierarchy between subdomains of the nucleotide binding domain of the Hsp70 chaperone DnaK

Live-cell observation of cytosolic HIV-1 assembly onset reveals RNA-interacting Gag oligomers

Importance of dipole moments and ambient polarity for the conformation of Xaa–Pro moieties – a combined experimental and theoretical study

Mapping Mechanical Force Propagation through Biomolecular Complexes

Unraveling the Base Excision Repair Mechanism of Human DNA Glycosylase

Kinetic and Theoretical Studies of Beta-Lactone Reactivity—A Quantitative Scale for Biological Application

Fully Blind Peptide-Protein Docking with pepATTRACT

Dewar Lesion Formation in Single- and Double-Stranded DNA is Quenched by Neighboring Bases

Application of Enhanced Sampling Monte Carlo Methods for High-Resolution Protein-Protein Docking in Rosetta

Anle138b and related compounds are aggregation specific fluorescence markers and reveal high affinity binding to α-synuclein aggregates

Role of the cytosolic loop C2 and the C-terminus of YidC in ribosome binding and insertion activity

A Base-Independent Repair Mechanism for DNA Glycosylase—No Discrimination Within the Active Site

C-5 Propynyl Modifications Enhance the Mechanical Stability of DNA

Walther-Nernst-Denkmünze to CIPSM researcher Christoph Bräuchle
Multifunctional polymer-capped mesoporous silica nanoparticles for pH-responsive targeted drug delivery

Hsp90 regulates the dynamics of its cochaperone Sti1 and the transfer of Hsp70 between modules

Dynamic DNA devices and assemblies formed by shape-complementary, non–base pairing 3D components

Tip localization of an atomic force microscope in transmission microscopy with nanoscale precision

CIPSM researcher Hendrik Dietz is awarded with the 2015 Leibniz-Preis
A magnetic stirring setup for applications in ultrafast spectroscopy of photo-sensitive solutions

A reduced-scaling density matrix-based method for the computation of the vibrational Hessian matrix at the self-consistent field level

Preselective Screening for Linear-Scaling Exact Exchange-Gradient Calculations for Graphics Processing Units and General Strong-Scaling Massively Parallel Calculations
Calculated Nuclear Magnetic Resonance Spectra of Polytwistane and Related Hydrocarbon Nanorods
Super-Resolution Imaging of ESCRT-Proteins at HIV-1 Assembly Sites

Side-binding proteins modulate actin filament dynamics

Early Events of DNA Photodamage

A Compact Native 24-Residue Supersecondary Structure Derived from the Villin Headpiece Subdomain

A Web Interface for Easy Flexible Protein-Protein Docking with ATTRACT
Photocontrolled chignolin-derived β-hairpin peptidomimetics

2014

Parallel Force Assay for Protein-Protein Interactions
Spin Component-Scaled Second-Order Møller−Plesset Perturbation Theory for Calculating NMR Shieldings
iATTRACT: Simultaneous global and local interface optimization for protein–protein docking refinement
Cell-Penetrating and Neurotargeting Dendritic siRNA Nanostructures
The charged linker of the molecular chaperone Hsp90 modulates domain contacts and biological function
Identification of charge separated states in thymine single strands
Making Fast Photoswitches Faster—Using Hammett Analysis to Understand the Limit of Donor–Acceptor Approaches for Faster Hemithioindigo Photoswitches
Watson–Crick Base Pairing Controls Excited-State Decay in Natural DNA
Chaperone Action at the Single-Molecule Level
Total Synthesis of the Proposed Structure of Trichodermatide A
Pulsed Interleaved Excitation Fluctuation Imaging Jelle
Communication: A reduced scaling J-engine based reformulation of SOS-MP2 using graphics processing units
A Residue-specific Shift in Stability and Amyloidogenicity of Antibody Variable Domains
Ribose-Protonated DNA Base Excision Repair: A Combined Theoretical and Experimental Study
The Lateral Membrane Organization and Dynamics of Myelin Proteins PLP and MBP Are Dictated by Distinct Galactolipids and the Extracellular Matrix
Cholesky-decomposed density MP2 with density fitting: Accurate MP2 and double-hybrid DFT energies for large systems
Primary reactions in photosynthetic reaction centers of Rhodobacter sphaeroides – Time constants of the initial electron transfer
Native chemical ligation for conversion of sequence-defined oligomers into targeted pDNA and siRNA carriers
Eukaryotic and archaeal TBP and TFB/TF(II)B follow different promoter DNA bending pathways
Force-dependent isomerization kinetics of a highly conserved proline switch modulates the mechanosensing region of filamin
Mechanism of the Decay of Thymine Triplets in DNA Single Strands
Novel Derivatives of 1‑Cyclohexyl-4-[3-(5-methoxy-1,2,3,4- tetrahydronaphthalen-1-yl)propyl]piperazine (PB28) with Improved Fluorescent and σ Receptors Binding Properties
Charge separation and charge delocalization identified in long-living states of photoexcited DNA
Fingerprinting DNA Oxidation Processes: IR Characterization of the 5-Methyl-2′-Deoxycytidine Radical Cation
Benchmarking Hydrogen and Carbon NMR Chemical Shifts at HF, DFT, and MP2 Levels
Photostabilit von 4,4’-Dihydroxythioindigo: ein Mimetikum des Indigo

2013

Transition state and ground state properties of the helix–coil transition in peptides deduced from high-pressure studies
Isomerization- and Temperature-Jump-Induced Dynamics of a Photoswitchable β-Hairpin
Sensitivity of ab Initio vs Empirical Methods in Computing Structural Effects on NMR Chemical Shifts for the Example of Peptides
Multifunctional Mesoporous Silica Nanoparticles as a Universal Platform for Drug Delivery
Mechanical Stability of the Antibody Domain CH3 Homodimer in Different Oxidation States
Deamination, Oxidation, and C−C Bond Cleavage Reactivity of 5‑Hydroxymethylcytosine, 5‑Formylcytosine, and 5‑Carboxycytosine
Testing the diffusing boundary model for the helix–coil transition in peptides
Fluorescence Microscopy Studies of Porous Silica Materials
Pulsed Interleaved Excitation: Principles and Applications
Rigid DNA Beams for High-Resolution Single-Molecule Mechanics†
Molecular Tweezers with Varying Anions: A Comparative Study
Tracking Image Correlation: Combining Single-Particle Tracking and Image Correlation
Uptake Kinetics and Nanotoxicity of Silica Nanoparticles Are Cell Type Dependent
Targeted Drug Delivery in Cancer Cells with Red-Light Photoactivated Mesoporous Silica Nanoparticles
An extrapolation method for the efficient calculation of molecular response properties within Born–Oppenheimer molecular dynamics
A linear- and sublinear-scaling method for calculating NMR shieldings in atomic orbital-based second-order Møller-Plesset perturbation theory
Real-time observation of the conformational dynamics of mitochondrial Hsp70 by spFRET
Anle138b: a novel oligomer modulator for disease-modifying therapy of neurodegenerative diseases such as prion and Parkinson’s disease
Pre-selective screening for matrix elements in linear-scaling exact exchange calculations
Electrostatics Control Actin Filament Nucleation and Elongation Kinetics
A family of macrodomain proteins reverses cellular mono-ADP-ribosylation
A fast analysis method to quantify nanoparticle uptake on a single cell level
Force as a single molecule probe of multidimensional protein energy landscapes
Following the energy transfer in and out of a polyproline–peptide

2012

Controlling The Mobility Of Oligonucleotides In The Nanochannels Of Mesoporous Silica
Rapid Folding of DNA into Nanoscale Shapes at Constant Temperature
Dynamic force sensing of filamin revealed in single-molecule experiments
Cryo-EM structure of a 3D DNA-origami object
Synthetic Lipid Membrane Channels Formed by Designed DNA Nanostructures
Enhanced Bioactivity of Internally Functionalized Cationic Dendrimers with PEG Cores
Calcium-dependent folding of single calmodulin molecules
Magnesium-free self-assembly of multi-layer DNA objects
Release pathways of interferon α2a molecules from lipid twin screw extrudates revealed by single molecule fluorescence microscopy
Differential pH-dependent cellular uptake pathways among foamy viruses elucidated using dual-colored fluorescent particles
Amyloid-Like Structures Formed by Azobenzene Peptides: Light-Triggered Disassembly
Dynamics of ultraviolet-induced DNA lesions: Dewar formation guided by pre-tension induced by the backbone
Tuning Nanoparticle Uptake: Live-Cell Imaging Reveals Two Distinct Endocytosis Mechanisms Mediated by Natural and Artificial EGFR Targeting Ligand
ONIOM approach for non-adiabatic on-the-fly molecular dynamics demonstrated for the backbone controlled Dewar valence isomerization
Three-Dimensional Tracking of Carbon Nanotubes within Living Cells
Quantitative Live-Cell Imaging of Human Immunodeficiency Virus (HIV-1) Assembly
Cascaded Photoinduced Drug Delivery to Cells from Multifunctional Core–Shell Mesoporous Silica
DNA Origami Gatekeepers for Solid-State Nanopores
Light-Switchable Hemithioindigo–Hemistilbene-Containing Peptides: Ultrafast Spectroscopy of the Z → E Isomerization of the Chromophore and the Structural Dynamics of the Peptide Moiety
Direct Visualization of Dye and Oligonucleotide Diffusion in Silica Filaments with Collinear Mesopores
Factors Affecting the Quantification of Biomolecular Interactions by Fluorescence Cross-Correlation Spectroscopy
Combining MFD and PIE for Accurate Single-Pair Förster Resonance Energy Transfer Measurements
Effects of Hofmeister Ions on the α-Helical Structure of Proteins
Superhelical Architecture of the Myosin Filament-Linking Protein Myomesin with Unusual Elastic Properties
Mechanism of UV-Induced Formation of Dewar Lesions in DNA
Heat shock protein 90’s mechanochemical cycle is dominated by thermal fluctuations

2011

Fluorescence Correlation Spectroscopy: Principles and Developments
Direct Visualization of Dye and Oligonucleotide Diffusion in Silica Filaments with Collinear Mesopores
Quantitative prediction of 3D solution shape and flexibility of nucleic acid nanostructures
Multiple molecular architectures of the eye lens chaperone αB-crystallin elucidated by a triple hybrid approach
How kinesin-2 forms a stalk
The Complex Folding Network of Single Calmodulin Molecules
Controlling The Mobility Of Oligonucleotides In The Nanochannels Of Mesoporous Silica
Nanoscale three-dimensional single particle tracking
Fast-folding α-helices as reversible strain absorbers in the muscle protein myomesin
Effect of integrin targeting and PEG shielding on polyplex micelle internalization 2 studied by live-cell imaging
The Initiation Factor TFE and the Elongation Factor Spt4/5 Compete for the RNAP Clamp during Transcription Initiation and Elongation
The Excited-State Decay of 1-Methyl-2(1H)-pyrimidinone is an Activated Process
Single-particle Tracking as a Quantitative Microscopy-based Approach to Unravel Cell Entry Mechanisms of Viruses and Pharmaceutical Nanoparticles
The complexity of mesoporous silica nanomaterials unravelled by single molecule microscopy
Regulatory Posttranslational Modifications in Hsp90 Can Be Compensated by Cochaperone Aha1
Vibrational Spectra of the Ground and the Singlet Excited ππ* State of 6,7-Dimethyl-8-ribityllumazine
Live-cell visualization of dynamics of HIV budding site interactions with an ESCRT component
Nitro-Phenylalanine: A Novel Sensor for Heat Transfer in Peptides
A primer to scaffolded DNA origami
Light-Triggered Aggregation and Disassembly of Amyloid-Like Structures
Visualization of the self-assembly of silica nanochannels reveals growth mechanism
Substrate discrimination of the chaperone BiP by autonomous and cochaperone-regulated conformational transitions
Folding and Unfolding of Light-Triggered beta-Hairpin Model Peptides

2010

Photophysics of New Photostable Rylene Derivatives: Applications in Single-Molecule Studies and Membrane Labelling
Molecular Driving Forces for Z/E Isomerization Mediated by Heteroatoms: The Example Hemithioindigo
Reporters in the nanoworld: diffusion of single molecules in mesoporous materials
Controlling the Structure of Proteins at Surfaces
Perylene-Labeled Silica Nanoparticles: Synthesis and Characterization of Three Novel Silica Nanoparticle Species for Live-Cell Imaging
Bio-inspired novel design principles for artificial molecular motors
Dynamics of heat shock protein 90 C-terminal dimerization is an important part of its conformational cycle
Role of Endosomal Escape for Disulfide-Based Drug Delivery from Colloidal Mesoporous Silica Evaluated by Live-Cell Imaging
Structural and Mechanical Hierarchies in the Alpha Crystallin Domain Dimer of the Hyperthermophilic Small Heat Shock Protein Hsp16.5
Chaperonin-Catalyzed Rescue of Kinetically Trapped States in Protein Folding
DNA photodamage: Study of cyclobutane pyrimidine dimer fornlation il1 a locked thymine dinucleotide
Tautomerization of 2-nitroso-N-arylanilines by coordination as N,N′-chelate ligands to rhenium(I) complexes and the anticancer activity of newly synthesized oximine rhenium(I) complexes against human melanoma and leukemia cells in vitro
Pulling a Single Polymer Molecule off a Substrate Reveals the Binding Thermodynamics of Cosolutes
Colchicine-Loaded Lipid Bilayer-Coated 50 nm Mesoporous Nanoparticles Efficiently Induce Microtubule Depolymerization upon Cell Uptake
CIPSM-Professor Jens Michaelis receives the 2010 Nernst-Haber-Bodenstein Prize
Regulation of a heterodimeric kinesin-2 through an unprocessive motor domain that is turned processive by its partner
Novel detection scheme for application in pump–repump–probe spectroscopy
Relaxation time prediction for a light switchable peptide by molecular dynamics
Increasing the efficiency of the ring-opening reaction of photochromic indolylfulgides by optical pre-excitation
The Conformational Dynamics of the Mitochondrial Hsp70 Chaperone
Evidence for a Broad Transition-State Ensemble in Calmodulin Folding from Single-Molecule Force Spectroscopy
Structural insight into M-band assembly and mechanics from the titin-obscurin-like-1 complex Supporting Information
Full distance-resolved folding energy landscape of one single protein molecule
Aging of Hydrogenated and Oxidized Diamond
Exploring the Conformation-Regulated Function of Titin Kinase by Mechanical Pump and Probe Experiments with Single Molecules

2009

Polymer Adhesion at the Solid–Liquid Interface Probed by a Single–Molecule Force Sensor
The detailed balance limit of photochemical energy conversion
Ligand Binding Mechanics of Maltose Binding Protein
Single Molecule Adhesion Mechanics on Rough Surfaces
Visualizing Single-Molecule Diffusion in Nanochannel Systems
Adsorption Mechanism of Polypeptides and Their Location at Hydrophobic Interfaces
Dynamics of HIV-1 Assembly and Release
DNA based molecular motors
YEAH! CIPSM-Professor Jens Michaleis receives big €-EU-Grant
A 75 MHz Light Source for Femtosecond Stimulated Raman Microscopy
Disturbing interference patterns in femtosecond stimulated Raman microscopy
Photochemistry with thermal versus optical excess energy: Ultrafast cycloreversion of indolylfulgides and indolylfulgimides
Real-time Nanomicroscopy via Three-Dimensional Single-Particle Tracking
Single-molecule force spectroscopy distinguishes target binding modes of calmodulin
Folding DNA into Twisted and Curved Nanoscale Shapes
Stability and reaction dynamics of trifluorinated indolylfulgides
The titin-telethonin complex is a directed, superstable molecular bond in the muscle Z-disk
Nano positioning system reveals the course of upstream and nontemplate DNA within the RNA polymerase II elongation complex
Influence of the Charge at D85 on the Initial Steps in the Photocycle of Bacteriorhodopsin
Nanostructured Silica Materials As Drug-Delivery Systems for Doxorubicin: Single Molecule and Cellular Studies
Single molecule force measurements delineate salt, pH and surface effects on biopolymer adhesion
Dynamics of magnetic lipoplexes studied by single particle tracking in living cells
Atomic force microscopy spring constant determination in viscous liquids
Thymine Dimerization in DNA Model Systems: Cyclobutane Photolesion Is Predominantly Formed via the Singlet Channel
Single-Molecule Investigations of a Photoswitchable Nanodevice
The large conformational changes of Hsp90 are only weakly coupled to ATP hydrolysis
Mutations of the peripheral antenna complex LH2–correlations of energy transfer time with other functional properties
Wavelength and solvent independent photochemistry: the electrocyclic ring-closure of indolylfulgides
Ligand-Dependent Equilibrium Fluctuations of Single Calmodulin Molecules
Photochromic Bis(thiophen-3-yl)maleimides Studied with Time-Resolved Spectroscopy
Ultrafast Hemithioindigo-based peptide-switches

2008

Photophysics of New Water-Soluble Terrylenediimide Derivatives and Applications in Biology
Accelerated and Efficient Photochemistry from Higher Excited Electronic States in Fulgide Molecules
Design criteria for optimal photosynthetic energy conversion
A nano-positioning system for macromolecular structural analysis
Nanoparticle Self-Assembly on a DNA-Scaffold Written by Single-Molecule Cut-and-Paste
Navigating the Folding Energy Landscape of Green Fluorescent Protein
Mechanoenzymatics of titin kinase
Dynamics of photoinduced endosomal release of polyplexes
Simultaneous Transport of Different Localized mRNA Species Revealed by Live-Cell Imaging
Mechanical Unfoldons as Building Blocks of Maltose-binding Protein
Monitoring Protein Conformation along the Pathway of Chaperonin-Assisted Folding
Chemical control of Hemithioindigo-photoisomerization – Substituent-effects on different molecular parts
PIE: eine multidimensionale Fluoreszenzmethode
Hydrophobic and Hofmeister Effects on the Adhesion of Spider Silk Proteins onto Solid Substrates: An AFM-Based Single-Molecule Study
Conformational changes of a Swi2/Snf2 ATPase during its mechano-chemical cycle
Single Molecule Fluorescence of Native and Refolded Peridinin–Chlorophyll–Protein Complexes
Single-molecule tracking of mRNA exiting from RNA polymerase II
The Hammett Relationship and Reactions in the Excited Electronic State Hemithioindigo Z/E-Photoisomerization

2007

Solarzellen nach biologischem Vorbild?
Metal-Enhanced Fluorescence of Chlorophylls in Single Light-Harvesting Complexes
Revealing the bifurcation in the unfolding pathways of GFP by using single-molecule experiments and simulations
Visualizing single-molecule diffusion in mesoporous materials
Relative binding affinities of chlorophylls in peridinin–chlorophyll–protein reconstituted with heterochlorophyllous mixtures
Light-triggered beta-hairpin folding and unfolding
Direct Observation of Active Protein Folding Using Lock-in Force Spectroscopy
Infrared Studies of Small Azobenzene Peptides: Unexpectedly Slow Reactions on the Time Range of Minutes
Photochemical Z to E Isomerization of a Hemithioindigo/Hemistilbene omega-Amino Acid
Comparing a Photoinduced Pericyclic Ring Opening and Closure: Differences in the Excited State Pathways
Dem Molekül auf der Spur
Femtosecond stimulated Raman microscopy
Experimental Test of Connector Rotation during DNA Packaging into Bacteriophage Phi29 Capsids
CIPSM Movie
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TU München
MPG
Helmholtz München
MPI of Neurobiology
MPI of Biochemistry