List of works - Steffen Wolf

2D-IR Spectroscopy of an AHA Labeled Photoswitchable PDZ2 Domain.

scientific article published on 21 November 2017

7TM Domain Structure of Adhesion GPCRs

scientific article published on January 2016

A delocalized proton-binding site within a membrane protein

scientific article

Azidohomoalanine: A Minimally-Invasive, Versatile and Sensitive Infrared Label in Proteins to Study Ligand Binding

Directional proton transfer in membrane proteins achieved through protonated protein-bound water molecules: a proton diode

scientific article

Does ketamine target olfactory receptors in the brain?

scientific article published on 31 March 2015

Dynamical Binding Modes Determine Agonistic and Antagonistic Ligand Effects in the Prostate-Specific G-Protein Coupled Receptor (PSGR).

scientific article published on 22 November 2017

Energy Transport Pathways in Proteins: A Non-equilibrium Molecular Dynamics Simulation Study

scientific article published on 04 September 2019

Estimation of Protein-Ligand Unbinding Kinetics Using Non-Equilibrium Targeted Molecular Dynamics Simulations

scientific article published on 22 November 2019

Evidence for a shape-based recognition of odorants in vivo in the human nose from an analysis of the molecular mechanism of lily-of-the-valley odorants detection in the Lilial and Bourgeonal family using the C/Si/Ge/Sn switch strategy

scientific article published on August 2017

How Does a Membrane Protein Achieve a Vectorial Proton Transfer Via Water Molecules?

Identification and Validation of Reaction Coordinates Describing Protein Functional Motion: Hierarchical Dynamics of T4 Lysozyme

scientific article

Identification of amino acids involved in histamine potentiation of GABA A receptors

scientific article

In channelrhodopsin-2 Glu-90 is crucial for ion selectivity and is deprotonated during the photocycle

scientific article

Infrared spectral marker bands characterizing a transient water wire inside a hydrophobic membrane protein

Molecular Origin of Driving-Dependent Friction in Fluids

scientific article published on 20 April 2022

Multisecond ligand dissociation dynamics from atomistic simulations

scientific article published on 10 June 2020

Photocontrolling Protein-Peptide Interactions: From Minimal Perturbation to Complete Unbinding

scientific article published on 26 June 2019

Predicting Ion Channel Conductance via Dissipation-Corrected Targeted Molecular Dynamics and Langevin Equation Simulations

scientific article published on 20 December 2021

Prediction of a Ligand-Binding Niche within a Human Olfactory Receptor by Combining Site-Directed Mutagenesis with Dynamic Homology Modeling

article

Principal component analysis of nonequilibrium molecular dynamics simulations

scientific article published on 01 May 2019

Proton transfer via a transient linear water-molecule chain in a membrane protein

scientific article

Real-time observation of ligand-induced allosteric transitions in a PDZ domain

scientific article published on 05 October 2020

Sequence, structure and ligand binding evolution of rhodopsin-like G protein-coupled receptors: a crystal structure-based phylogenetic analysis

scientific article

Simulations of a G protein-coupled receptor homology model predict dynamic features and a ligand binding site

scientific article published on 5 September 2008

Structural basis of slow activation gating in the cardiac I Ks channel complex

scientific article (publication date: 2011)

T box riboswitch antiterminator affinity modulated by tRNA structural elements

scientific article published in February 2007

Targeted molecular dynamics calculations of free energy profiles using a nonequilibrium friction correction

article

The role of protein-bound water molecules in microbial rhodopsins

scientific article

The structure of active opsin as a basis for identification of GPCR agonists by dynamic homology modelling and virtual screening assays ⬇️

scientific article published on October 21, 2011

finDr: A web server for in silico D-peptide ligand identification

scientific article published on 23 November 2021

List of works by Steffen Wolf

2D-IR Spectroscopy of an AHA Labeled Photoswitchable PDZ2 Domain.

7TM Domain Structure of Adhesion GPCRs

A delocalized proton-binding site within a membrane protein

Azidohomoalanine: A Minimally-Invasive, Versatile and Sensitive Infrared Label in Proteins to Study Ligand Binding

Directional proton transfer in membrane proteins achieved through protonated protein-bound water molecules: a proton diode

Does ketamine target olfactory receptors in the brain?

Dynamical Binding Modes Determine Agonistic and Antagonistic Ligand Effects in the Prostate-Specific G-Protein Coupled Receptor (PSGR).

Energy Transport Pathways in Proteins: A Non-equilibrium Molecular Dynamics Simulation Study

Estimation of Protein-Ligand Unbinding Kinetics Using Non-Equilibrium Targeted Molecular Dynamics Simulations

Evidence for a shape-based recognition of odorants in vivo in the human nose from an analysis of the molecular mechanism of lily-of-the-valley odorants detection in the Lilial and Bourgeonal family using the C/Si/Ge/Sn switch strategy

How Does a Membrane Protein Achieve a Vectorial Proton Transfer Via Water Molecules?

Identification and Validation of Reaction Coordinates Describing Protein Functional Motion: Hierarchical Dynamics of T4 Lysozyme

Identification of amino acids involved in histamine potentiation of GABA A receptors

In channelrhodopsin-2 Glu-90 is crucial for ion selectivity and is deprotonated during the photocycle

Infrared spectral marker bands characterizing a transient water wire inside a hydrophobic membrane protein

Molecular Origin of Driving-Dependent Friction in Fluids

Multisecond ligand dissociation dynamics from atomistic simulations

Photocontrolling Protein-Peptide Interactions: From Minimal Perturbation to Complete Unbinding

Predicting Ion Channel Conductance via Dissipation-Corrected Targeted Molecular Dynamics and Langevin Equation Simulations

Prediction of a Ligand-Binding Niche within a Human Olfactory Receptor by Combining Site-Directed Mutagenesis with Dynamic Homology Modeling

Principal component analysis of nonequilibrium molecular dynamics simulations

Proton transfer via a transient linear water-molecule chain in a membrane protein

Real-time observation of ligand-induced allosteric transitions in a PDZ domain

Sequence, structure and ligand binding evolution of rhodopsin-like G protein-coupled receptors: a crystal structure-based phylogenetic analysis

Simulations of a G protein-coupled receptor homology model predict dynamic features and a ligand binding site

Structural basis of slow activation gating in the cardiac I Ks channel complex

T box riboswitch antiterminator affinity modulated by tRNA structural elements

Targeted molecular dynamics calculations of free energy profiles using a nonequilibrium friction correction

The role of protein-bound water molecules in microbial rhodopsins

The structure of active opsin as a basis for identification of GPCR agonists by dynamic homology modelling and virtual screening assays ⬇️

finDr: A web server for in silico D-peptide ligand identification