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List of works by Rainer A Böckmann

1-Alkanols and membranes: a story of attraction

scientific article published on 24 August 2007

A Coiled-Coil Peptide Shaping Lipid Bilayers upon Fusion

scientific article

A Critical Comparison of Biomembrane Force Fields: Structure and Dynamics of Model DMPC, POPC, and POPE Bilayers

scientific article published on 14 April 2016

Allostery in BAX protein activation

scientific article published on 6 February 2016

Binding Characteristics of Sphingosine-1-Phosphate to ApoM hints to Assisted Release Mechanism via the ApoM Calyx-Opening.

scientific article published on August 2016

Biomembranes in atomistic and coarse-grained simulations.

scientific article published on 21 July 2015

Biomolecular simulations of membranes: Physical properties from different force fields

scientific article published on 01 March 2008

Characteristics of Sucrose Transport through the Sucrose-Specific Porin ScrY Studied by Molecular Dynamics Simulations.

scientific article published on 15 February 2016

Closely related, yet unique: Distinct homo- and heterodimerization patterns of G protein coupled chemokine receptors and their fine-tuning by cholesterol.

scientific article published on 12 March 2018

Computational Lipidomics with insane: A Versatile Tool for Generating Custom Membranes for Molecular Simulations

scientific article published on 24 April 2015

Conformational dynamics of the F1-ATPase beta-subunit: a molecular dynamics study

scientific article published on September 2003

Contribution of charged and polar residues for the formation of the E1-E2 heterodimer from Hepatitis C Virus

scientific article published on 2 March 2010

Critical Comparison of Biomembrane Force Fields: Protein-Lipid Interactions at the Membrane Interface

scientific article published on 7 April 2017

Crystal Structures of the Global Regulator DasR from Streptomyces coelicolor: Implications for the Allosteric Regulation of GntR/HutC Repressors

scientific article

Differential peptide dynamics is linked to major histocompatibility complex polymorphism

scientific article

Dynamic Cholesterol-Conditioned Dimerization of the G Protein Coupled Chemokine Receptor Type 4.

scientific article

Dynamic processes in biological membrane mimics revealed by quasielastic neutron scattering.

scientific article published on June 2017

Dynamical characterization of two differentially disease associated MHC class I proteins in complex with viral and self-peptides

scientific article published on 16 November 2011

Effect of sodium chloride on a lipid bilayer

scientific article published on September 2003

Effects of Alkali Cations and Halide Anions on the DOPC Lipid Membrane†

scientific article published on 01 July 2009

Electric field effects on membranes: gramicidin A as a test ground

scientific article published on 20 October 2006

Energetic view on membrane pore formation

scientific article published on January 2014

Evidence for proton shuffling in a thioredoxin-like protein during catalysis

scientific article published on 29 July 2008

Exploring the Formation and the Structure of Synaptobrevin Oligomers in a Model Membrane

scientific article published on May 2016

Extension of the LOPLS-AA Force Field for Alcohols, Esters, and Monoolein Bilayers and its Validation by Neutron Scattering Experiments

scientific article published on 30 November 2015

Going Backward: A Flexible Geometric Approach to Reverse Transformation from Coarse Grained to Atomistic Models.

scientific article published on 21 January 2014

GroPBS: Fast Solver for Implicit Electrostatics of Biomolecules

scientific article published on 17 November 2015

HLA-B27 subtypes differentially associated with disease exhibit conformational differences in solution

scientific article published on 8 December 2007

High-Throughput Simulations of Dimer and Trimer Assembly of Membrane Proteins. The DAFT Approach

scientific article published on 26 March 2015

High-resolution structures of Escherichia coli cDsbD in different redox states: A combined crystallographic, biochemical and computational study

scientific article

Interaction pattern of Arg 62 in the A-pocket of differentially disease-associated HLA-B27 subtypes suggests distinct TCR binding modes

scientific article

Kinetics, statistics, and energetics of lipid membrane electroporation studied by molecular dynamics simulations.

scientific article

Lipid Dynamics in Membranes Slowed Down by Transmembrane Proteins

scientific article published on 26 October 2020

Low free energy barrier for ion permeation through double-helical gramicidin

scientific article published on 01 March 2009

Low-affinity peptides and T-cell selection

scientific article published on 07 February 2009

Mechanism of interaction of monovalent ions with phosphatidylcholine lipid membranes.

scientific article published in July 2010

Membrane phase transition during heating and cooling: molecular insight into reversible melting

scientific article

Membrane pore formation in atomistic and coarse-grained simulations.

scientific article

Membrane-Mediated Oligomerization of G Protein Coupled Receptors and Its Implications for GPCR Function

scientific article

Membrane-proximal tryptophans of synaptobrevin II stabilize priming of secretory vesicles

scientific article published on 01 November 2012

Molecular Dynamics Simulations of Membrane Proteins

scientific article published on 01 January 2013

Molecular determinants of major histocompatibility complex class I complex stability: shaping antigenic features through short and long range electrostatic interactions

scientific article published on 27 May 2008

Multistep binding of divalent cations to phospholipid bilayers: a molecular dynamics study

scientific article published on 01 February 2004

Nanoseconds molecular dynamics simulation of primary mechanical energy transfer steps in F1-ATP synthase

scientific article published on March 2002

Optimization of the OPLS-AA Force Field for Long Hydrocarbons

scientific article published on 30 March 2012

Peptide-induced membrane curvature in edge-stabilized open bilayers: a theoretical and molecular dynamics study

scientific article published on 01 July 2014

Phase Transition of Glycolipid Membranes Studied by Coarse-Grained Simulations

scientific article published on 19 August 2015

Phosphatidylinositol-3,5-bisphosphate lipid-binding-induced activation of the human two-pore channel 2

scientific article published on 28 April 2018

Predicting free energy changes using structural ensembles

scientific article published on 01 January 2009

Serotonin Alters the Phase Equilibrium of a Ternary Mixture of Phospholipids and Cholesterol

scientific article published on 23 October 2020

Spontaneous Adsorption of Coiled-Coil Model Peptides K and E to a Mixed Lipid Bilayer

scientific article published on 12 March 2015

Spontaneous formation of detergent micelles around the outer membrane protein OmpX.

scientific article

Structural Model of the mIgM B-Cell Receptor Transmembrane Domain From Self-Association Molecular Dynamics Simulations

scientific article published on 17 December 2018

Synaptobrevin Transmembrane Domain Dimerization Studied by Multiscale Molecular Dynamics Simulations

scientific article published on August 2015

Synaptobrevin transmembrane domain determines the structure and dynamics of the SNARE motif and the linker region

scientific article published on 4 February 2016

The Molecular Switching Mechanism at the Conserved D(E)RY Motif in Class-A GPCRs

scientific article

The Multifaceted Role of SNARE Proteins in Membrane Fusion.

scientific article published on 20 January 2017

The closure of Pak1-dependent macropinosomes requires the phosphorylation of CtBP1/BARS.

scientific article

The degenerin region of the human bile acid-sensitive ion channel (BASIC) is involved in channel inhibition by calcium and activation by bile acids.

scientific article published on 27 March 2018

The function of the two-pore channel TPC1 depends on dimerization of its carboxy-terminal helix.

scientific article published on 18 January 2016

The influence of 1-alkanols and external pressure on the lateral pressure profiles of lipid bilayers.

scientific article published on 10 October 2008

v-SNARE transmembrane domains function as catalysts for vesicle fusion

scientific article published on 25 June 2016

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