Research graph
References from Molecular dynamics simulations unveil the aggregation patterns and salting out of polyarginines at zwitterionic POPC bilayers in solutions of various ionic strengths. Local targets link to admitted publications; unresolved targets remain external evidence.
Unresolved reference
External reference
10.1016/j.str.2011.10.010
10.1016/j.str.2011.10.010 · External reference
10.1038/nrm2330
10.1038/nrm2330 · External reference
Calculation of apparent pKa values of saturated fatty acids with different lengths in DOPC phospholipid bilayers
10.1039/c9cp01204d · 2019 · External reference
Fatty acid flip-flop in phospholipid bilayers is extremely fast
10.1021/bi00037a034 · 1995 · External reference
10.1038/cr.2010.19
10.1038/cr.2010.19 · External reference
10.1152/physrev.1997.77.3.759
10.1152/physrev.1997.77.3.759 · External reference
Cell-penetrating peptides. A reevaluation of the mechanism of cellular uptake
10.1074/jbc.m209548200 · 2003 · External reference
10.1021/ar4000554
10.1021/ar4000554 · External reference
10.1016/j.febslet.2009.11.046
10.1016/j.febslet.2009.11.046 · External reference
10.1021/acschemneuro.1c00140
10.1021/acschemneuro.1c00140 · External reference
Electrostatic interactions between single arginine and phospholipids modulate physiological properties of sarcoplasmic reticulum Ca2+-ATPase
10.1038/s41598-022-16091-9 · 2022 · External reference
10.1034/j.1399-3011.2000.00723.x
10.1034/j.1399-3011.2000.00723.x · External reference
Free energy calculations of membrane permeation: challenges due to strong headgroup-solute interactions
10.1021/acs.jctc.7b01159 · 2018 · External reference
Probing a continuous polar defect: a reaction coordinate for pore formation in lipid membranes
10.1021/acs.jctc.7b00106 · 2017 · External reference
Simulations of pore formation in lipid membranes: reaction coordinates, convergence, hysteresis, and finite-size effects
10.1021/acs.jctc.6b00369 · 2016 · External reference
Free energies of membrane stalk formation from a lipidomics perspective
10.1038/s41467-021-26924-2 · 2021 · External reference
Metastable prepores in tension-free lipid bilayers
2018 · External reference
Arginine ‘magic’: guanidinium like-charge ion pairing from aqueous salts to cell penetrating peptides
10.1021/acs.accounts.8b00098 · 2018 · External reference
10.1021/jp405451e
10.1021/jp405451e · External reference
Polyarginine interacts more strongly and cooperatively than polylysine with phospholipid bilayers
10.1021/acs.jpcb.6b05604 · 2016 · External reference
Ionic strength and solution composition dictate the adsorption of cell-penetrating peptides onto phosphatidylcholine membranes
10.1021/acs.langmuir.2c01435 · 2022 · External reference
Why do polyarginines adsorb at neutral phospholipid bilayers and polylysines do not? An insight from density functional theory calculations and molecular dynamics simulations
10.1039/d3cp02411c · 2023 · External reference
10.1021/jp405451e
10.1021/jp405451e · External reference
10.1021/ja507832e
10.1021/ja507832e · External reference
10.1073/pnas.1712078114
10.1073/pnas.1712078114 · External reference
10.1021/jp203519p
10.1021/jp203519p · External reference
Orientational dependence of the affinity of guanidinium ions to the water surface
10.1021/jp207499s · 2011 · External reference
Guanidinium pairing facilitates membrane translocation
10.1021/acs.jpcb.5b10404 · 2016 · External reference
10.1021/jz3007657
10.1021/jz3007657 · External reference
Prosecco: polarization reintroduced by optimal scaling of electronic continuum correction origin in MD simulations
10.1016/j.bpj.2021.11.1935 · 2022 · External reference
Accounting for electronic polarization in non-polarizable force fields
10.1039/c0cp01971b · 2011 · External reference
Electronic continuum model for molecular dynamics simulations of biological molecules
10.1021/ct9005807 · 2010 · External reference
Effective inclusion of electronic polarization improves the description of electrostatic interactions: The prosECCo75 biomolecular force field
10.1021/acs.jctc.4c00743 · 2024 · External reference
Aqueous guanidinium-carbonate interactions by molecular dynamics and neutron scattering: relevance to ion-protein interactions
10.1021/jp310719g · 2013 · External reference
Ions at hydrophobic aqueous interfaces: molecular dynamics with effective polarization
10.1021/jz300805b · 2012 · External reference
Accurate binding of sodium and calcium to a POPC bilayer by effective inclusion of electronic polarization
10.1021/acs.jpcb.7b12510 · 2018 · External reference
Overcharging in biological systems: reversal of electrophoretic mobility of aqueous polyaspartate by multivalent cations
10.1103/physrevlett.108.186101 · 2012 · External reference
A practical guide to biologically relevant molecular simulations with charge scaling for electronic polarization
10.1063/5.0017775 · 2020 · External reference
10.1016/j.bpj.2023.03.026
10.1016/j.bpj.2023.03.026 · External reference
CHARMM36m: an improved force field for folded and intrinsically disordered proteins
2016 · External reference
Update of the CHARMM all-atom additive force field for lipids: validation on six lipid types
10.1021/jp101759q · 2010 · External reference
A practical guide to biologically relevant molecular simulations with charge scaling for electronic polarization
10.1063/5.0017775 · 2020 · External reference
Charge scaling manifesto: a way of reconciling the inherently macroscopic and microscopic natures of molecular simulations
10.1021/acs.jpclett.9b02652 · 2019 · External reference
10.1038/nmeth.4067
10.1038/nmeth.4067 · External reference
10.1007/s41048-020-00107-w
10.1007/s41048-020-00107-w · External reference
10.1063/1.470117
10.1063/1.470117 · External reference
Molecular dynamics with coupling to an external bath
1984 · External reference
10.1063/1.328693
10.1063/1.328693 · External reference
The nose–hoover thermostat
10.1063/1.449071 · 1998 · External reference
P-LINCS: a parallel linear constraint solver for molecular simulation
10.1021/ct700200b · 2008 · External reference
10.1002/jcc.540130805
10.1002/jcc.540130805 · External reference
10.1016/j.softx.2015.06.001 · Admitted local publication
MDAnalysis: a toolkit for the analysis of molecular dynamics simulations
10.1002/jcc.21787 · 2011 · External reference
Unresolved reference
External reference
Zur Lehre von der Wirkung der Salze - Zweite Mittheilung
10.1007/bf01918191 · 1888 · External reference
Salting-in and salting-out of hydrophobic solutes in aqueous salt solutions
10.1021/jp010568+ · 2001 · External reference
Influence of ionic strength on hydrophobic interactions in water: dependence on solute size and shape
10.1021/acs.jpcb.0c06399 · 2020 · External reference
Direct entry of cell-penetrating peptide can be controlled by maneuvering the membrane curvature
10.1038/s41598-020-79518-1 · 2021 · External reference
10.1021/acs.accounts.7b00221
10.1021/acs.accounts.7b00221 · External reference
10.1529/biophysj.107.112805
10.1529/biophysj.107.112805 · External reference
Atomistic molecular simulations suggest a kinetic model for membrane translocation by arginine-rich peptides
10.1021/acs.jpcb.5b08072 · 2015 · External reference
Effect of arginine-rich cell penetrating peptides on membrane pore formation and life-times: a molecular simulation study
10.1039/c4cp02211d · 2014 · External reference
10.1016/j.chembiol.2020.07.015
10.1016/j.chembiol.2020.07.015 · External reference
Arginine-rich cell-penetrating peptides induce membrane multilamellarity and subsequently enter via formation of a fusion pore
10.1073/pnas.1811520115 · 2018 · External reference
Atomistic simulations of pore formation and closure in lipid bilayers
10.1016/j.bpj.2013.11.4486 · 2014 · External reference
10.1016/j.bpj.2011.05.038
10.1016/j.bpj.2011.05.038 · External reference
Membrane electroporation: a molecular dynamics simulation
10.1529/biophysj.104.050617 · 2005 · External reference
