Lista de obras - Rainer A Böckmann - Dominio Público Uruguay

1-Alkanols and membranes: a story of attraction

artículo científico publicado en 2007

A Coiled-Coil Peptide Shaping Lipid Bilayers upon Fusion

artículo científico publicado en 2016

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

artículo científico publicado en 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.

artículo científico

Biomolecular simulations of membranes: Physical properties from different force fields

artículo científico publicado en 2008

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

artículo científico

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

artículo científico publicado en 2018

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

artículo científico publicado en 2003

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

artículo científico publicado en 2010

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

artículo científico publicado en 2017

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

artículo científico publicado en 2016

Differential peptide dynamics is linked to major histocompatibility complex polymorphism

artículo científico publicado en 2004

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

artículo científico publicado en 2016

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

artículo científico publicado en 2017

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

artículo científico publicado en 2011

Effect of sodium chloride on a lipid bilayer

artículo científico publicado en 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

artículo científico publicado en 2006

Energetic view on membrane pore formation

artículo científico publicado en 2014

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

artículo científico publicado en 2008

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

artículo científico publicado en 2016

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

artículo científico publicado en 2015

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

artículo científico publicado en 2014

GroPBS: Fast Solver for Implicit Electrostatics of Biomolecules

artículo científico publicado en 2015

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

artículo científico publicado en 2007

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

artículo científico publicado en 2015

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

artículo científico publicado en 2006

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

artículo científico publicado en 2012

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

artículo científico publicado en 2008

Lipid Dynamics in Membranes Slowed Down by Transmembrane Proteins

artículo científico publicado en 2020

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

artículo científico publicado en 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.

artículo científico publicado en 2010

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

artículo científico publicado en 2017

Membrane pore formation in atomistic and coarse-grained simulations.

artículo científico publicado en 2015

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

artículo científico publicado en 2016

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

artículo científico publicado en 2012

Molecular Dynamics Simulations of Membrane Proteins

artículo científico publicado en 2013

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

artículo científico publicado en 2008

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

artículo científico publicado en 2004

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

artículo científico publicado en 2002

Optimization of the OPLS-AA Force Field for Long Hydrocarbons

artículo científico publicado en 2012

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

artículo científico publicado en 2014

Phase Transition of Glycolipid Membranes Studied by Coarse-Grained Simulations

artículo científico publicado en 2015

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

artículo científico publicado en 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

artículo científico publicado en 2020

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

artículo científico publicado en 2015

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

artículo científico publicado en 2005

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

artículo científico publicado en 2018

Synaptobrevin Transmembrane Domain Dimerization Studied by Multiscale Molecular Dynamics Simulations

artículo científico publicado en 2015

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

artículo científico publicado en 2016

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

artículo científico publicado en 2016

The Multifaceted Role of SNARE Proteins in Membrane Fusion.

artículo científico publicado en 2017

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

artículo científico publicado en 2008

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

artículo científico publicado en 2018

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

artículo científico publicado en 2016

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

artículo científico publicado en 2008

v-SNARE transmembrane domains function as catalysts for vesicle fusion

artículo científico publicado en 2016

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

artículo científico publicado en 2015

Lista de obras de Rainer A Böckmann

1-Alkanols and membranes: a story of attraction

A Coiled-Coil Peptide Shaping Lipid Bilayers upon Fusion

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

Allostery in BAX protein activation

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

Biomembranes in atomistic and coarse-grained simulations.

Biomolecular simulations of membranes: Physical properties from different force fields

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

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

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

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

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

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

Differential peptide dynamics is linked to major histocompatibility complex polymorphism

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

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

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

Effect of sodium chloride on a lipid bilayer

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

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

Energetic view on membrane pore formation

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

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

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

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

GroPBS: Fast Solver for Implicit Electrostatics of Biomolecules

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

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

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

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

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

Lipid Dynamics in Membranes Slowed Down by Transmembrane Proteins

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

Low-affinity peptides and T-cell selection

Mechanism of interaction of monovalent ions with phosphatidylcholine lipid membranes.

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

Membrane pore formation in atomistic and coarse-grained simulations.

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

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

Molecular Dynamics Simulations of Membrane Proteins

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

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

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

Optimization of the OPLS-AA Force Field for Long Hydrocarbons

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

Phase Transition of Glycolipid Membranes Studied by Coarse-Grained Simulations

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

Predicting free energy changes using structural ensembles

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

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

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

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

Synaptobrevin Transmembrane Domain Dimerization Studied by Multiscale Molecular Dynamics Simulations

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

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

The Multifaceted Role of SNARE Proteins in Membrane Fusion.

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

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

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

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

v-SNARE transmembrane domains function as catalysts for vesicle fusion

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