Developing initial conditions for simulations of asymmetric membranes: a practical recommendation
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Title
Developing initial conditions for simulations of asymmetric membranes: a practical recommendation
Authors
Keywords
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Journal
BIOPHYSICAL JOURNAL
Volume 120, Issue 22, Pages 5041-5059
Publisher
Elsevier BV
Online
2021-10-14
DOI
10.1016/j.bpj.2021.10.009
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Note: Only part of the references are listed.- The Extended Eighth‐Shell method for periodic boundary conditions with rotational symmetry
- (2021) Samarjeet Prasad et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
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- (2020) J. H. Lorent et al. Nature Chemical Biology
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- (2019) Markus Sakari Miettinen et al. NANO LETTERS
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- (2019) Claudia M. Rival et al. Nature Communications
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- (2018) Aymeric Chorlay et al. BIOPHYSICAL JOURNAL
- The glycolipid GM1 reshapes asymmetric biomembranes and giant vesicles by curvature generation
- (2018) Raktim Dasgupta et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Accurate in silico modeling of asymmetric bilayers based on biophysical principles
- (2018) Milka Doktorova et al. BIOPHYSICAL JOURNAL
- Analysis of Lipid Order States and Domains in Lipid Bilayer Simulations
- (2018) Soohyung Park et al. Journal of Chemical Theory and Computation
- OpenMM 7: Rapid development of high performance algorithms for molecular dynamics
- (2017) Peter Eastman et al. PLoS Computational Biology
- On the molecular mechanism of flippase- and scramblase-mediated phospholipid transport
- (2016) Cédric Montigny et al. BIOCHIMICA ET BIOPHYSICA ACTA-MOLECULAR AND CELL BIOLOGY OF LIPIDS
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- (2016) Nico Fricke et al. BIOPHYSICAL JOURNAL
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- (2016) S Nagata et al. CELL DEATH AND DIFFERENTIATION
- Studying the effects of asymmetry on the bending rigidity of lipid membranes formed by microfluidics
- (2016) K. Karamdad et al. CHEMICAL COMMUNICATIONS
- Ganglioside-Lipid and Ganglioside-Protein Interactions Revealed by Coarse-Grained and Atomistic Molecular Dynamics Simulations
- (2016) Ruo-Xu Gu et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Subnanometer Structure of an Asymmetric Model Membrane: Interleaflet Coupling Influences Domain Properties
- (2016) Frederick A. Heberle et al. LANGMUIR
- Membrane mechanical properties of synthetic asymmetric phospholipid vesicles
- (2016) Li Lu et al. Soft Matter
- Measurements of the effect of membrane asymmetry on the mechanical properties of lipid bilayers
- (2015) Yuval Elani et al. CHEMICAL COMMUNICATIONS
- Fluid lipid membranes: From differential geometry to curvature stresses
- (2015) Markus Deserno CHEMISTRY AND PHYSICS OF LIPIDS
- How Tolerant are Membrane Simulations with Mismatch in Area per Lipid between Leaflets?
- (2015) Soohyung Park et al. Journal of Chemical Theory and Computation
- CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field
- (2015) Jumin Lee et al. Journal of Chemical Theory and Computation
- EFF-1-mediated regenerative axonal fusion requires components of the apoptotic pathway
- (2015) Brent Neumann et al. NATURE
- Coupling of bending and stretching deformations in vesicle membranes
- (2014) Reinhard Lipowsky ADVANCES IN COLLOID AND INTERFACE SCIENCE
- CHARMM All-Atom Additive Force Field for Sphingomyelin: Elucidation of Hydrogen Bonding and of Positive Curvature
- (2014) Richard M. Venable et al. BIOPHYSICAL JOURNAL
- Roles and regulation of phospholipid scramblases
- (2014) Karthik M. Kodigepalli et al. FEBS LETTERS
- CHARMM-GUIMembrane Buildertoward realistic biological membrane simulations
- (2014) Emilia L. Wu et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Lipid Organization of the Plasma Membrane
- (2014) Helgi I. Ingólfsson et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Constitutive phospholipid scramblase activity of a G protein-coupled receptor
- (2014) Michael A. Goren et al. Nature Communications
- Open Questions in Lipid Droplet Biology
- (2013) Yuki Ohsaki et al. CHEMISTRY & BIOLOGY
- Acyl Chain Length and Saturation Modulate Interleaflet Coupling in Asymmetric Bilayers: Effects on Dynamics and Structural Order
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- Critical role of a transmembrane lysine in aminophospholipid transport by mammalian photoreceptor P4-ATPase ATP8A2
- (2012) J. A. Coleman et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Diurnal, localized exposure of phosphatidylserine by rod outer segment tips in wild-type but not Itgb5-/- or Mfge8-/- mouse retina
- (2012) L. Ruggiero et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Preparation and Properties of Asymmetric Large Unilamellar Vesicles: Interleaflet Coupling in Asymmetric Vesicles Is Dependent on Temperature but Not Curvature
- (2011) Hui-Ting Cheng et al. BIOPHYSICAL JOURNAL
- Membrane nanotubes induced by aqueous phase separation and stabilized by spontaneous curvature
- (2011) Y. Li et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
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- (2009) B. R. Brooks et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Flip-Flop of Phospholipids in Vesicles: Kinetic Analysis with Time-Resolved Small-Angle Neutron Scattering
- (2009) Minoru Nakano et al. JOURNAL OF PHYSICAL CHEMISTRY B
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- CHARMM-GUI: A web-based graphical user interface for CHARMM
- (2008) Sunhwan Jo et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Application of Mean Field Boundary Potentials in Simulations of Lipid Vesicles
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- Membrane lipids: where they are and how they behave
- (2008) Gerrit van Meer et al. NATURE REVIEWS MOLECULAR CELL BIOLOGY
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