Extension of the CAVS model to the simulation of helical peptides in a membrane environment.

Keywords

Tilt (camera), Extension (predicate logic), Bilayer, Peptide, Dipole

References

• A Review of Physics-Based Coarse-Grained Potentials for the Simulations of Protein Structure and DynamicsHujun Shen, Zhen Xia, Guohui Li — 2012
• A Review of Coarse-Grained Molecular Dynamics Techniques to Access Extended Spatial and Temporal Scales in Biomolecular SimulationsBonnie A. Merchant, Jeffry D. Madura — 2011
• Energetics of cholesterol transfer between lipid bilayers.Zhancheng Zhang, Lanyuan Lu, Max L. Berkowitz — 2008
• Comparison of simple potential functions for simulating liquid waterWilliam L. Jorgensen, Jayaraman Chandrasekhar, Jeffry D. Madura — 1983
• Systematic multiscale simulation of membrane protein systemsGary S. Ayton, Gregory A. Voth — 2009
• The Nose–Hoover thermostatD.J. Evans, Brad Lee Holian — 1985
• A new coarse-grained model for water: the importance of electrostatic interactions.Zhe Wu, Qiang Cui, Arun Yethiraj — 2010
• Nonphysical sampling distributions in Monte Carlo free-energy estimation: Umbrella samplingG. M. Torrie, J. P. Valleau — 1977
• Phase equilibria in binary systems containing N-monosubstituted amides and hydrocarbonsJürgen Schmelzer, Jens Pusch — 1995
• An anisotropic coarse‐grained model based on Gay–Berne and electric multipole potentials and its application to simulate a DMPC bilayer in an implicit solvent modelHujun Shen, Yan Li, Peijun Xu — 2015
• Biomolecular simulations of membranes: physical properties from different force fields.Shirley W. I. Siu, Robert Vácha, Pavel Jungwirth — 2008
• Intramembrane molecular dipoles affect the membrane insertion and folding of a model amphiphilic peptide.Josep Cladera, Paul O’Shea — 1998
• Structure and dynamics of phospholipid bilayers using recently developed general all‐atom force fieldsLula Rosso, Ian R. Gould — 2008
• Influence of the membrane dipole potential on peptide binding to lipid bilayersHuan Zhan, Themis Lazaridis — 2011
• Molecular view of cholesterol flip-flop and chemical potential in different membrane environments.William F. Bennett, Justin L. MacCallum, Marlon J. Hinner — 2009
• Multiscale Methods for Macromolecular SimulationsPaul Sherwood, Bernard R. Brooks, Mark S.P. Sansom — 2008
• Revisiting hydrophobic mismatch with free energy simulation studies of transmembrane helix tilt and rotation.Taehoon Kim, Wonpil Im — 2010
• Electrostatic interactions in a neutral model phospholipid bilayer by molecular dynamics simulationsLeonor Saiz, Michael L. Klein — 2002
• Transmembrane helix tilting: insights from calculating the potential of mean force.Jinhyuk Lee, Wonpil Im — 2008
• Multiscale modeling of proteins.Valentina Tozzini — 2010

Cited by

• Effect of Disulfide Bridge on the Binding of SARS-CoV-2 Fusion Peptide to Cell Membrane: A Coarse-Grained StudyHujun Shen, Zhenhua Wu — 2022
• Alteration of Lipid Bilayer Electrical Potential by Phytochemicals and Synthetic Analogs: Implications for Cellular FunctionSvetlana S. Efimova, Quan Minh Pham, Huu Truong Trinh — 2026

Related papers

• Calculation of overall tilt angles for a double tilt holder in a TEMP.M. Kelly, C. Wauchope, Xuezhi Zhang — 1994
• Electro-optic performance of electroclinic materials with large induced tilt angleBanahalli R. Ratna, Gregory P. Crawford, Jawad Naciri — 1994
• Optimized Design of HCE Degradation Induced by Tilt of HaloXing Zhang — 2007
• The organisation and management of agricultural extension and farmer-assistance—A note on developments in Botswana. Part 1: Organisation for extension and some extension problemsAlan Kingshotte — 1980
• Extent and effect of surface tilt on the data display of the EyeSys videokeratoscope.William A. Douthwaite, Shahina Pardhan, Henry Burek — 1996
• Tilted Power of Thin LensesW. F. Harris — 2002
• ROLE OF THE BILAYER-BILAYER INTERACTION ON THE RIPPLE STRUCTURE OF SUPPORTED BILAYERS IN SOLUTIONFang Ye, Jie Yang — 1996
• Study of n-dimensional Extension SetCai Guo — 2001
• An appraisal of the agriculture extension service in iran as perceived by extension specialists and extension agentsEzatollah Karami, Robert W. McCormick — 1982