Related references
Note: Only part of the references are listed.Lipid-Dependent Regulation of Ion Channels and G Protein-Coupled Receptors: Insights from Structures and Simulations
Anna L. Duncan et al.
ANNUAL REVIEW OF PHARMACOLOGY AND TOXICOLOGY, VOL 60 (2020)
How Nanoscale Protein Interactions Determine the Mesoscale Dynamic Organisation of Membrane Proteins
Anna L. Duncan et al.
BIOPHYSICAL JOURNAL (2019)
Benchmarking of different molecular docking methods for protein-peptide docking
Piyush Agrawal et al.
BMC BIOINFORMATICS (2019)
Morphologic determinant of tight junctions revealed by claudin-3 structures
Shun Nakamura et al.
NATURE COMMUNICATIONS (2019)
New insights into GluT1 mechanics during glucose transfer
Tatiana Galochkina et al.
SCIENTIFIC REPORTS (2019)
Recent Advances in Coarse-Grained Models for Biomolecules and Their Applications
Nidhi Singh et al.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (2019)
Molecular interactions underlying liquid-liquid phase separation of the FUS low-complexity domain
Anastasia C. Murthy et al.
NATURE STRUCTURAL & MOLECULAR BIOLOGY (2019)
Biomolecular simulations: From dynamics and mechanisms to computational assays of biological activity
David J. Huggins et al.
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2019)
Obtaining Protein Association Energy Landscape for Integral Membrane Proteins
Nandhini Rajagopal et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2019)
Palmitoylation of Claudin-5 Proteins Influences Their Lipid Domain Affinity and Tight Junction Assembly at the Blood-Brain Barrier Interface
Nandhini Rajagopal et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2019)
Claudin-5: gatekeeper of neurological function
Chris Greene et al.
FLUIDS AND BARRIERS OF THE CNS (2019)
Carbon replicas reveal double stranded structure of tight junctions in phase-contrast electron microscopy
Evan S. Krystofiak et al.
COMMUNICATIONS BIOLOGY (2019)
Cell Biology of Tight Junction Barrier Regulation and Mucosal Disease
Aaron Buckley et al.
COLD SPRING HARBOR PERSPECTIVES IN BIOLOGY (2018)
Protein Partitioning into Ordered Membrane Domains: Insights from Simulations
Xubo Lin et al.
BIOPHYSICAL JOURNAL (2018)
Mimicking brain tissue binding in an in vitro model of the blood-brain barrier illustrates differences between in vitro and in vivo methods for assessing the rate of brain penetration
Marjolein Heymans et al.
EUROPEAN JOURNAL OF PHARMACEUTICS AND BIOPHARMACEUTICS (2018)
Molecular determination of claudin-15 organization and channel selectivity
Priyanka Samanta et al.
JOURNAL OF GENERAL PHYSIOLOGY (2018)
Exploring GPCR-Lipid Interactions by Molecular Dynamics Simulations: Excitements, Challenges, and the Way Forward
Durba Sengupta et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2018)
Self-Assembly Simulations of Classic Claudins-Insights into the Pore Structure, Selectivity, and Higher Order Complexes
Flaviyan Jerome Irudayanathan et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2018)
Computational chemical biology and drug design: Facilitating protein structure, function, and modulation studies
Mingyue Zheng et al.
MEDICINAL RESEARCH REVIEWS (2018)
Mechanism of Antibacterial Activity of Choline-Based Ionic Liquids (CAGE)
Kelly N. Ibsen et al.
ACS BIOMATERIALS SCIENCE & ENGINEERING (2018)
Mechanism of Antibacterial Activity of Choline-Based Ionic Liquids (CAGE)
Kelly N. Ibsen et al.
ACS BIOMATERIALS SCIENCE & ENGINEERING (2018)
Single glucose molecule transport process revealed by force tracing and molecular dynamics simulations
Yangang Pan et al.
NANOSCALE HORIZONS (2018)
50 million atoms scale molecular dynamics modelling on a single consumer graphics card
Gaobo Xiao et al.
ADVANCES IN ENGINEERING SOFTWARE (2018)
Molecular Dynamics Simulations of Ion Selectivity in a Claudin-15 Paracellular Channel
Giulio Alberini et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2018)
Microfluidic Blood-Brain Barrier Model Provides In Vivo-Like Barrier Properties for Drug Permeability Screening
Ying I. Wang et al.
BIOTECHNOLOGY AND BIOENGINEERING (2017)
Structure-Kinetic Relationships of Passive Membrane Permeation from Multiscale Modeling
Callum J. Dickson et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2017)
Glucose Transporters at the Blood-Brain Barrier: Function, Regulation and Gateways for Drug Delivery
Simon G. Patching
MOLECULAR NEUROBIOLOGY (2017)
An Ensemble-Based Protocol for the Computational Prediction of Helix-Helix Interactions in G Protein-Coupled Receptors using Coarse-Grained Molecular Dynamics
Nojood A. Altwaijry et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2017)
Predicting a Drug's Membrane Permeability: A Computational Model Validated With in Vitro Permeability Assay Data
Brian J. Bennion et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2017)
The ClusPro web server for protein-protein docking
Dima Kozakov et al.
NATURE PROTOCOLS (2017)
Multiscale simulations for understanding the evolution and mechanism of hierarchical peptide self-assembly
Chengqian Yuan et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2017)
Membrane protein contact and structure prediction using co-evolution in conjunction with machine learning
Pedro L. Teixeira et al.
PLOS ONE (2017)
Physical properties of the HIV-1 capsid from all-atom molecular dynamics simulations
Juan R. Perilla et al.
NATURE COMMUNICATIONS (2017)
A refined model of claudin-15 tight junction paracellular architecture by molecular dynamics simulations
Giulio Alberini et al.
PLOS ONE (2017)
Protein crowding and lipid complexity influence the nanoscale dynamic organization of ion channels in cell membranes
Anna L. Duncan et al.
SCIENTIFIC REPORTS (2017)
Architecture of the paracellular channels formed by claudins of the blood-brain barrier tight junctions
Flaviyan Jerome Irudayanathan et al.
ANNALS OF THE NEW YORK ACADEMY OF SCIENCES (2017)
Martini Coarse-Grained Force Field: Extension to RNA
Jaakko J. Uusitalo et al.
BIOPHYSICAL JOURNAL (2017)
Dynamic modeling of the tight junction pore pathway
Christopher R. Weber et al.
ANNALS OF THE NEW YORK ACADEMY OF SCIENCES (2017)
Intestinal epithelial claudins: expression and regulation in homeostasis and inflammation
Vicky Garcia-Hernandez et al.
ANNALS OF THE NEW YORK ACADEMY OF SCIENCES (2017)
Flexible CDOCKER: Development and Application of a Pseudo-Explicit Structure-Based Docking Method Within CHARMM
Jessica K. Gagnon et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2016)
Molecular Architecture of the Blood Brain Barrier Tight Junction Proteins-A Synergistic Computational and In Vitro Approach
Flaviyan Jerome Irudayanathan et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2016)
Insights into the function of ion channels by computational electrophysiology simulations
Carsten Kutzner et al.
BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES (2016)
Molecular simulations of glycolipids: Towards mammalian cell membrane models
David Shorthouse et al.
BIOCHIMIE (2016)
SIRAH tools: mapping, backmapping and visualization of coarse-grained models
Matias R. Machado et al.
BIOINFORMATICS (2016)
Coarse-Grained Protein Models and Their Applications
Sebastian Kmiecik et al.
CHEMICAL REVIEWS (2016)
Computational 'microscopy' of cellular membranes
Helgi I. Ingolfsson et al.
JOURNAL OF CELL SCIENCE (2016)
Drug-Specific Design of Telodendrimer Architecture for Effective Doxorubicin Encapsulation
Wenjuan Jiang et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2016)
Membrane Compartmentalization Reducing the Mobility of Lipids and Proteins within a Model Plasma Membrane
Heidi Koldso et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2016)
Roles of Interleaflet Coupling and Hydrophobic Mismatch in Lipid Membrane Phase-Separation Kinetics
Philip W. Fowler et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2016)
The Combined Effect of Hydrophobic Mismatch and Bilayer Local Bending on the Regulation of Mechanosensitive Ion Channels
Omid Bavi et al.
PLOS ONE (2016)
The Role of the Membrane in the Structure and Biophysical Robustness of the Dengue Virion Envelope
Tyler Reddy et al.
STRUCTURE (2016)
Molecular mechanism of cardiolipin-mediated assembly of respiratory chain supercomplexes
C. Arnarez et al.
CHEMICAL SCIENCE (2016)
Coarse-grained simulation reveals key features of HIV-1 capsid self-assembly
John M. A. Grime et al.
NATURE COMMUNICATIONS (2016)
Dynamics of Crowded Vesicles: Local and Global Responses to Membrane Composition
Daniel A. Holdbrook et al.
PLOS ONE (2016)
Structural basis for disruption of claudin assembly in tight junctions by an enterotoxin
Takehiro Shinoda et al.
SCIENTIFIC REPORTS (2016)
Tight junction modulation of the blood brain barrier: CNS delivery of small molecules
Chris Greene et al.
TISSUE BARRIERS (2016)
Enhanced sampling techniques in molecular dynamics simulations of biological systems
Rafael C. Bernardi et al.
BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS (2015)
The importance of claudin-7 palmitoylation on membrane subdomain localization and metastasis-promoting activities
Sarah Heiler et al.
CELL COMMUNICATION AND SIGNALING (2015)
Molecular dynamics simulations of large macromolecular complexes
Juan R. Perilla et al.
CURRENT OPINION IN STRUCTURAL BIOLOGY (2015)
High-Throughput Simulations of Dimer and Trimer Assembly of Membrane Proteins. The DAFT Approach
Tsjerk A. Wassenaar et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)
SIRAH: A Structurally Unbiased Coarse-Grained Force Field for Proteins with Aqueous Solvation and Long-Range Electrostatics
Leonardo Darre et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)
Model for the Architecture of Claudin-Based Paracellular Ion Channels through Tight Junctions
Hiroshi Suzuki et al.
JOURNAL OF MOLECULAR BIOLOGY (2015)
Simulating Gram-Negative Bacterial Outer Membrane: A Coarse Grain Model
Huilin Ma et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2015)
Organization and Dynamics of Receptor Proteins in a Plasma Membrane
Heidi Koldso et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2015)
Multiscale Approach to Investigate Self-Assembly of Telodendrimer Based Nanocarriers for Anticancer Drug Delivery
Wenjuan Jiang et al.
LANGMUIR (2015)
The I-TASSER Suite: protein structure and function prediction
Jianyi Yang et al.
NATURE METHODS (2015)
The Phyre2 web portal for protein modeling, prediction and analysis
Lawrence A. Kelley et al.
NATURE PROTOCOLS (2015)
I-TASSER server: new development for protein structure and function predictions
Jianyi Yang et al.
NUCLEIC ACIDS RESEARCH (2015)
THE PHYSIOLOGY OF PROTEIN S-ACYLATION
Luke H. Chamberlain et al.
PHYSIOLOGICAL REVIEWS (2015)
Structural insight into tight junction disassembly by Clostridium perfringens enterotoxin
Yasunori Saitoh et al.
SCIENCE (2015)
The Blood-Brain Barrier
Richard Daneman et al.
COLD SPRING HARBOR PERSPECTIVES IN BIOLOGY (2015)
Evolutionary-guided de novo structure prediction of self-associated transmembrane helical proteins with near-atomic accuracy
Y. Wang et al.
NATURE COMMUNICATIONS (2015)
Hydrophobic mismatch sorts SNARE proteins into distinct membrane domains
Dragomir Milovanovic et al.
NATURE COMMUNICATIONS (2015)
Autoregulated paracellular clearance of amyloid-β across the blood-brain barrier
James Keaney et al.
SCIENCE ADVANCES (2015)
Molecular determinants of blood-brain barrier permeation
Werner J. Geldenhuys et al.
THERAPEUTIC DELIVERY (2015)
TEER Measurement Techniques for In Vitro Barrier Model Systems
Balaji Srinivasan et al.
JALA (2015)
Lipids and topological rules governing membrane protein assembly
Mikhail Bogdanov et al.
BIOCHIMICA ET BIOPHYSICA ACTA-MOLECULAR CELL RESEARCH (2014)
YASARA View-molecular graphics for all devices-from smartphones to workstations
Elmar Krieger et al.
BIOINFORMATICS (2014)
A Method to Predict Blood-Brain Barrier Permeability of Drug-Like Compounds Using Molecular Dynamics Simulations
Timothy S. Carpenter et al.
BIOPHYSICAL JOURNAL (2014)
Claudin-3 and Claudin-5 Protein Folding and Assembly into the Tight Junction Are Controlled by Non-conserved Residues in the Transmembrane 3 (TM3) and Extracellular Loop 2 (ECL2) Segments
Jan Rossa et al.
JOURNAL OF BIOLOGICAL CHEMISTRY (2014)
Sidekick for Membrane Simulations: Automated Ensemble Molecular Dynamics Simulations of Transmembrane Helices
Benjamin A. Hall et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2014)
CHARMM-GUI Membrane Builder Toward Realistic Biological Membrane Simulations
Emilia L. Wu et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2014)
In Vitro Models of the Blood-Brain Barrier for the Study of Drug Delivery to the Brain
Imola Wilhelm et al.
MOLECULAR PHARMACEUTICS (2014)
From structure to function: the convergence of structure based models and co-evolutionary information
Biman Jana et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2014)
Crystal Structure of a Claudin Provides Insight into the Architecture of Tight Junctions
Hiroshi Suzuki et al.
SCIENCE (2014)
Lipid Clustering Correlates with Membrane Curvature as Revealed by Molecular Simulations of Complex Lipid Bilayers
Heidi Koldso et al.
PLOS COMPUTATIONAL BIOLOGY (2014)
The rights and wrongs of blood-brain barrier permeability studies: a walk through 100 years of history
Norman R. Saunders et al.
FRONTIERS IN NEUROSCIENCE (2014)
You Shall Not Pass-tight junctions of the blood brain barrier
Hans-Christian Bauer et al.
FRONTIERS IN NEUROSCIENCE (2014)
Claudins and the Kidney
Jianghui Hou et al.
ANNUAL REVIEW OF PHYSIOLOGY, VOL 75 (2013)
The determinants of hydrophobic mismatch response for transmembrane helices
Armando J. de Jesus et al.
BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES (2013)
Perspective on the Martini model
Siewert J. Marrink et al.
CHEMICAL SOCIETY REVIEWS (2013)
Free energy of WALP23 dimer association in DMPC, DPPC, and DOPC bilayers
Norberto Castillo et al.
CHEMISTRY AND PHYSICS OF LIPIDS (2013)
What does S-palmitoylation do to membrane proteins?
Sanja Blaskovic et al.
FEBS JOURNAL (2013)
The network of stabilizing contacts in proteins studied by coevolutionary data
Sara Lui et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
Improved Parameters for the Martini Coarse-Grained Protein Force Field
Djurre H. de Jong et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)
PRIMO: A Transferable Coarse-Grained Force Field for Proteins
Parimal Kar et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)
FIPSDock: A new molecular docking technique driven by fully informed swarm optimization algorithm
Yu Liu et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2013)
A modular approach to create a neurovascular unit-on-a-chip
Anil Kumar H. Achyuta et al.
LAB ON A CHIP (2013)
CLAUDINS AND THE MODULATION OF TIGHT JUNCTION PERMEABILITY
Dorothee Guenzel et al.
PHYSIOLOGICAL REVIEWS (2013)
Defining a length scale for millisecond-timescale protein conformational exchange
Ashok Sekhar et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2013)
Sugar for the brain: the role of glucose in physiological and pathological brain function
Philipp Mergenthaler et al.
TRENDS IN NEUROSCIENCES (2013)
Biophysical insights into how surfaces, including lipid membranes, modulate protein aggregation related to neurodegeneration
Kathleen A. Burke et al.
FRONTIERS IN NEUROLOGY (2013)
Claudin interactions in and out of the tight junction
Christina M. Van Itallie et al.
TISSUE BARRIERS (2013)
Differential pathways of claudin oligomerization and integration into tight junctions
Michael Koval
TISSUE BARRIERS (2013)
Overexpression of claudin-5 but not claudin-3 induces formation of trans-interaction-dependent multilamellar bodies
Jan Rossa et al.
BARRIERS AND CHANNELS FORMED BY TIGHT JUNCTION PROTEINS I (2012)
Drug transport across the blood-brain barrier
William M. Pardridge
JOURNAL OF CEREBRAL BLOOD FLOW AND METABOLISM (2012)
Updated energy budgets for neural computation in the neocortex and cerebellum
Clare Howarth et al.
JOURNAL OF CEREBRAL BLOOD FLOW AND METABOLISM (2012)
Dimerization of Amino Acid Side Chains: Lessons from the Comparison of Different Force Fields
Djurre H. de Jong et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2012)
Structural Determinants of the Supramolecular Organization of G Protein-Coupled Receptors in Bilayers
Xavier Periole et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2012)
Template-based protein structure modeling using the RaptorX web server
Morten Kaellberg et al.
NATURE PROTOCOLS (2012)
Tight junctions at the blood brain barrier: physiological architecture and disease-associated dysregulation
Anny-Claude Luissint et al.
FLUIDS AND BARRIERS OF THE CNS (2012)
Computational Electrophysiology: The Molecular Dynamics of Ion Channel Permeation and Selectivity in Atomistic Detail
Carsten Kutzner et al.
BIOPHYSICAL JOURNAL (2011)
Aggregation of Model Membrane Proteins, Modulated by Hydrophobic Mismatch, Membrane Curvature, and Protein Class
Daniel L. Parton et al.
BIOPHYSICAL JOURNAL (2011)
Capturing protein structural kinetics by mass spectrometry
Gili Ben-Nissan et al.
CHEMICAL SOCIETY REVIEWS (2011)
Predicted expansion of the claudin multigene family
Katsuhiko Mineta et al.
FEBS LETTERS (2011)
Claudin-2 Forms Homodimers and Is a Component of a High Molecular Weight Protein Complex
Christina M. Van Itallie et al.
JOURNAL OF BIOLOGICAL CHEMISTRY (2011)
Endoplasmic Reticulum Localization of DHHC Palmitoyltransferases Mediated by Lysine-based Sorting Signals
Oforiwa A. Gorleku et al.
JOURNAL OF BIOLOGICAL CHEMISTRY (2011)
Lipid packing drives the segregation of transmembrane helices into disordered lipid domains in model membranes
Lars V. Schaefer et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2011)
RaptorX: Exploiting structure information for protein alignment by statistical inference
Jian Peng et al.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2011)
Metadynamics
Alessandro Barducci et al.
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2011)
Meso-GSHMC: A stochastic algorithm for meso-scale constant temperature simulations
Elena Akhmatskaya et al.
PROCEEDINGS OF THE INTERNATIONAL CONFERENCE ON COMPUTATIONAL SCIENCE (ICCS) (2011)
The membrane environment modulates self-association of the human GpA TM domain-Implications for membrane protein folding and transmembrane signaling
Veerappan Anbazhagan et al.
BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES (2010)
Participation of the second extracellular loop of claudin-5 in paracellular tightening against ions, small and large molecules
Christian Piehl et al.
CELLULAR AND MOLECULAR LIFE SCIENCES (2010)
PACE Force Field for Protein Simulations. 1. Full Parameterization of Version 1 and Verification
Wei Han et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2010)
PACE Force Field for Protein Simulations. 2. Folding Simulations of Peptides
Wei Han et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2010)
The HADDOCK web server for data-driven biomolecular docking
Sjoerd J. De Vries et al.
NATURE PROTOCOLS (2010)
I-TASSER: a unified platform for automated protein structure and function prediction
Ambrish Roy et al.
NATURE PROTOCOLS (2010)
Structure and function of the blood-brain barrier
N. Joan Abbott et al.
NEUROBIOLOGY OF DISEASE (2010)
Lipid-mediated interactions tune the association of glycophorin A helix and its disruptive mutants in membranes
Durba Sengupta et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2010)
The Mouse Blood-Brain Barrier Transcriptome: A New Resource for Understanding the Development and Function of Brain Endothelial Cells
Richard Daneman et al.
PLOS ONE (2010)
Extending the PRIME model for protein aggregation to all 20 amino acids
Mookyung Cheon et al.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2010)
Epithelial Tight Junctions in Intestinal Inflammation
Joerg D. Schulzke et al.
MOLECULAR STRUCTURE AND FUNCTION OF THE TIGHT JUNCTION: FROM BASIC MECHANISMS TO CLINICAL MANIFESTATIONS (2009)
Structure and Function of Extracellular Claudin Domains
Gerd Krause et al.
MOLECULAR STRUCTURE AND FUNCTION OF THE TIGHT JUNCTION: FROM BASIC MECHANISMS TO CLINICAL MANIFESTATIONS (2009)
Crystallizing Membrane Proteins for Structure Determination: Use of Lipidic Mesophases
Martin Caffrey
ANNUAL REVIEW OF BIOPHYSICS (2009)
FRODOCK: a new approach for fast rotational protein-protein docking
Jose Ignacio Garzon et al.
BIOINFORMATICS (2009)
PLUMED: A portable plugin for free-energy calculations with molecular dynamics
Massimiliano Bonomi et al.
COMPUTER PHYSICS COMMUNICATIONS (2009)
Systematic multiscale simulation of membrane protein systems
Gary S. Ayton et al.
CURRENT OPINION IN STRUCTURAL BIOLOGY (2009)
Comparative atomistic and coarse-grained study of water: What do we lose by coarse-graining?
Han Wang et al.
EUROPEAN PHYSICAL JOURNAL E (2009)
Structure-Function Studies of Claudin Extracellular Domains by Cysteine-scanning Mutagenesis
Susanne Angelow et al.
JOURNAL OF BIOLOGICAL CHEMISTRY (2009)
CHARMM: The Biomolecular Simulation Program
B. R. Brooks et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2009)
Molecular View of Cholesterol Flip-Flop and Chemical Potential in Different Membrane Environments
W. F. Drew Bennett et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)
PoreWalker: A Novel Tool for the Identification and Characterization of Channels in Transmembrane Proteins from Their Three-Dimensional Structure
Marialuisa Pellegrini-Calace et al.
PLOS COMPUTATIONAL BIOLOGY (2009)
Structure and function of claudins
Gerd Krause et al.
BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES (2008)
Overcoming the challenges of membrane protein crystallography
Elisabeth P. Carpenter et al.
CURRENT OPINION IN STRUCTURAL BIOLOGY (2008)
Formation of tight junction: determinants of homophilic interaction between classic claudins
Joerg Piontek et al.
FASEB JOURNAL (2008)
The tight junction protein complex undergoes rapid and continuous molecular remodeling at steady state
Le Shen et al.
JOURNAL OF CELL BIOLOGY (2008)
The MARTINI coarse-grained force field: Extension to proteins
Luca Monticelli et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2008)
Claudin-16 and claudin-19 interact and form a cation-selective tight junction complex
Jianghui Hou et al.
JOURNAL OF CLINICAL INVESTIGATION (2008)
Software news and updates - CHARNIM-GUI: A web-based grraphical user interface for CHARMM
Sunhwan Jo et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2008)
Membrane lipids: where they are and how they behave
Gerrit van Meer et al.
NATURE REVIEWS MOLECULAR CELL BIOLOGY (2008)
MolAxis: a server for identification of channels in macromolecules
Eitan Yaffe et al.
NUCLEIC ACIDS RESEARCH (2008)
The RosettaDock server for local proteinprotein docking
Sergey Lyskov et al.
NUCLEIC ACIDS RESEARCH (2008)
Well-tempered metadynamics: A smoothly converging and tunable free-energy method
Alessandro Barducci et al.
PHYSICAL REVIEW LETTERS (2008)
Metadynamics: a method to simulate rare events and reconstruct the free energy in biophysics, chemistry and material science
Alessandro Laio et al.
REPORTS ON PROGRESS IN PHYSICS (2008)
MolAxis: Efficient and accurate identification of channels in macromolecules
Eitan Yaffe et al.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2008)
mRNA expression levels of tight junction protein genes in mouse brain capillary endothelial cells highly purified by magnetic cell sorting
Sumio Ohtsuki et al.
JOURNAL OF NEUROCHEMISTRY (2008)
Lipid bilayers: an essential environment for the understanding of membrane proteins
Richard C. Page et al.
MAGNETIC RESONANCE IN CHEMISTRY (2007)
MOLE:: A Voronoi diagram-based explorer of molecular channels, pores, and tunnels
Martin Petrek et al.
STRUCTURE (2007)
Virtual screening strategies in drug discovery
Campbell McInnes
CURRENT OPINION IN CHEMICAL BIOLOGY (2007)
The MARTINI force field: Coarse grained model for biomolecular simulations
Siewert J. Marrink et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2007)
In silico pharmacology for drug discovery: methods for virtual ligand screening and profiling
S. Ekins et al.
BRITISH JOURNAL OF PHARMACOLOGY (2007)
Blood-brain barrier delivery
William M. Pardridge
DRUG DISCOVERY TODAY (2007)
The membrane protein universe: what's out there and why bother?
G. von Heijne
JOURNAL OF INTERNAL MEDICINE (2007)
Palmitoylation: policing protein stability and traffic
Maurine E. Linder et al.
NATURE REVIEWS MOLECULAR CELL BIOLOGY (2007)
Coarse-grained molecular dynamics simulations of a rotating bacterial flagellum
Anton Arkhipov et al.
BIOPHYSICAL JOURNAL (2006)
Statistical potential for assessment and prediction of protein structures
Min-Yi Shen et al.
PROTEIN SCIENCE (2006)
From in vivo to in silico biology and back
Barbara Di Ventura et al.
NATURE (2006)
Side by side comparison between dynamic versus static models of blood-brain barrier in vitro:: A permeability study
Stefano Santaguida et al.
BRAIN RESEARCH (2006)
The claudin gene family: expression in normal and neoplastic tissues
Kyle J. Hewitt et al.
BMC CANCER (2006)
CAVER:: a new tool to explore routes from protein clefts, pockets and cavities
Martin Petrek et al.
BMC BIOINFORMATICS (2006)
Claudins - Key pieces in the tight junction puzzle
Michael Koval
CELL COMMUNICATION AND ADHESION (2006)
Disease-associated mutations affect intracellular traffic and paracellular Mg2+ transport function of Claudin-16
PJ Kausalya et al.
JOURNAL OF CLINICAL INVESTIGATION (2006)
Coarse grained protein-lipid model with application to lipoprotein particles
AY Shih et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2006)
Advances in homology protein structure modeling
Zhexin Xiang
CURRENT PROTEIN & PEPTIDE SCIENCE (2006)
GROMACS: Fast, flexible, and free
D Van der Spoel et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2005)
Scalable molecular dynamics with NAMD
JC Phillips et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2005)
The Amber biomolecular simulation programs
DA Case et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2005)
Ion transport through membrane-spanning nanopores studied by molecular dynamics simulations and continuum electrostatics calculations
C Peter et al.
BIOPHYSICAL JOURNAL (2005)
The FoldX web server: an online force field
J Schymkowitz et al.
NUCLEIC ACIDS RESEARCH (2005)
The blood-brain barrier/neurovascular unit in health and disease
BT Hawkins et al.
PHARMACOLOGICAL REVIEWS (2005)
Detecting coevolving amino acid sites using Bayesian mutational mapping
MW Dimmic et al.
BIOINFORMATICS (2005)
Palmitoylation of claudins is required for efficient tight-junction localization
CM Van Itallie et al.
JOURNAL OF CELL SCIENCE (2005)
Large-scale molecular dynamics simulation of DNA: implementation and validation of the AMBER98 force field in LAMMPS
C Grindon et al.
PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES (2004)
ClusPro: a fully automated algorithm for protein-protein docking
SR Comeau et al.
NUCLEIC ACIDS RESEARCH (2004)
Membrane proteins, lipids and detergents: not just a soap opera
AM Seddon et al.
BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES (2004)
The blood-brain barrier: an overview - Structure, regulation, and clinical implications
P Ballabh et al.
NEUROBIOLOGY OF DISEASE (2004)
Automated protein structure homology modeling: a progress report
J Kopp et al.
PHARMACOGENOMICS (2004)
A biomolecular force field based on the free enthalpy of hydration and solvation: The GROMOS force-field parameter sets 53A5 and 53A6
C Oostenbrink et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2004)
ModLoop: automated modeling of loops in protein structures
A Fiser et al.
BIOINFORMATICS (2003)
Role of claudin interactions in airway tight junctional permeability
CB Coyne et al.
AMERICAN JOURNAL OF PHYSIOLOGY-LUNG CELLULAR AND MOLECULAR PHYSIOLOGY (2003)
SWISS-MODEL: an automated protein homology-modeling server
T Schwede et al.
NUCLEIC ACIDS RESEARCH (2003)
ZDOCK: An initial-stage protein-docking algorithm
R Chen et al.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2003)
Size-selective loosening of the blood-brain barrier in claudin-5-deficient mice
T Nitta et al.
JOURNAL OF CELL BIOLOGY (2003)
HADDOCK: A protein-protein docking approach based on biochemical or biophysical information
C Dominguez et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2003)
Expression, solubilization, and biochemical characterization of the tight junction transmembrane protein claudin-4
LL Mitic et al.
PROTEIN SCIENCE (2003)
Tight junction proteins
L Gonzalez-Mariscal et al.
PROGRESS IN BIOPHYSICS & MOLECULAR BIOLOGY (2003)
Drug and gene delivery to the brain: The vascular route
WM Pardridge
NEURON (2002)
Tight junctions of the blood-brain barrier: Development, composition and regulation
H Wolburg et al.
VASCULAR PHARMACOLOGY (2002)
Increasing the precision of comparative models with YASARA NOVA - a self-parameterizing force field
E Krieger et al.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2002)
Claudin-based tight junctions are crucial for the mammalian epidermal barrier: a lesson from claudin-1-deficient mice
M Furuse et al.
JOURNAL OF CELL BIOLOGY (2002)
Molecular physiology and pathophysiology of tight junctions in the blood-brain barrier
JD Huber et al.
TRENDS IN NEUROSCIENCES (2001)
Multifunctional strands in tight junctions
S Tsukita et al.
NATURE REVIEWS MOLECULAR CELL BIOLOGY (2001)
Modeling of loops in protein structures
A Fiser et al.
PROTEIN SCIENCE (2000)
Inflammatory mediators and modulation of blood-brain barrier permeability
NJ Abbott
CELLULAR AND MOLECULAR NEUROBIOLOGY (2000)
x Ray crystallography
MS Smyth et al.
JOURNAL OF CLINICAL PATHOLOGY-MOLECULAR PATHOLOGY (2000)
Tight junctions of the blood-brain barrier
U Kniesel et al.
CELLULAR AND MOLECULAR NEUROBIOLOGY (2000)
Share Paper
