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References from Polymer–peptide interfacial interactions investigated by molecular dynamics simulations. Local targets link to admitted publications; unresolved targets remain external evidence.
Bioinspired structural adhesives: A decades-old science but emerging materials
10.1016/j.matt.2024.02.015 · 2024 · External reference
Biomimetic polymer adhesives
10.1021/acsapm.1c01285 · 2022 · External reference
Bioinspired bioadhesion: Translating nature’s adhesive strategies into regenerative medicine
10.1007/s44258-026-00080-y · 2026 · External reference
Enhancing the adhesion of a biomimetic polymer yields performance rivaling commercial glues
10.1002/adfm.201303536 · 2014 · External reference
Pathways to structure–property relationships of peptide–materials interfaces: Challenges in predicting molecular structures
10.1021/acs.accounts.7b00065 · 2017 · External reference
Perspectives on the simulation of protein–surface interactions using empirical force field methods
10.1016/j.colsurfb.2014.06.050 · 2014 · External reference
Molecular dynamics simulations of peptide−surface interactions
10.1021/la047807f · 2005 · External reference
Molecular dynamics simulations of adsorption of catechol and related phenolic compounds to alumina surfaces
10.1021/jp512780s · 2015 · External reference
Molecular dynamics simulation study of adsorption of bioinspired oligomers on alumina surfaces
10.1021/acs.jpcb.9b04473 · 2019 · External reference
Force field parameters for ammonium perchlorate validated using surface energies and applied to interactions with polymer binder
10.1021/acs.jpcc.3c02811 · 2023 · External reference
Modeling and simulation of protein–surface interactions: Achievements and challenges
10.1017/s0033583515000256 · 2016 · External reference
Protein adsorption on polymer surfaces: Calculation of adsorption energies
10.1163/156856289x00136 · 1989 · External reference
Modeling of peptide adsorption interactions with a poly(lactic acid) surface
10.1021/la802588n · 2008 · External reference
Quantitative and qualitative evaluation of adsorption/desorption of bovine serum albumin on hydrophilic and hydrophobic surfaces
10.1021/la901453a · 2009 · External reference
Lysozyme adsorption on polyethylene surfaces: Why are long simulations needed?
10.1021/la202622s · 2011 · External reference
Adsorption behavior of hydrophobin proteins on polydimethylsiloxane substrates
10.1021/jp304796p · 2012 · External reference
Understanding the performance of biomaterials through molecular modeling: Crossing the bridge between their intrinsic properties and the surface adsorption of proteins
10.1002/mabi.200600278 · 2007 · External reference
Free energy difference in indolicidin attraction to eukaryotic and prokaryotic model cell membranes
10.1021/jp211883u · 2012 · External reference
LAMMPS—A flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales
10.1016/j.cpc.2021.108171 · 2022 · External reference
Fast parallel algorithms for short-range molecular dynamics
10.1006/jcph.1995.1039 · 1995 · External reference
Unresolved reference
1989 · External reference
Ewald summation for systems with slab geometry
10.1063/1.479595 · 1999 · External reference
On the proper calculation of electrostatic interactions in solid-supported bilayer systems
10.1063/1.3548836 · 2011 · External reference
Casting metal nanowires within discrete self-assembled peptide nanotubes
10.1126/science.1082387 · 2003 · External reference
High-temperature Raman spectroscopy of L,L-diphenylalanine single-crystal
10.1016/j.vibspec.2018.06.001 · 2018 · External reference
Sequence-dependent interfacial adsorption and permeation of dipeptides across phospholipid membranes
10.1021/acs.jpcb.7b08238 · 2017 · External reference
A 2nd generation force field for the simulation of proteins, nucleic acids, and organic molecules
10.1021/ja00124a002 · 1995 · External reference
Development and testing of a general amber force field
10.1002/jcc.20035 · 2004 · External reference
ff14SB: Improving the accuracy of protein side chain and backbone parameters from ff99SB
10.1021/acs.jctc.5b00255 · 2015 · External reference
Temperature-dependent elasticity of a semicrystalline interphase composed of freely rotating chains
10.1021/ma0346658 · 2003 · External reference
AmberTools
10.1021/acs.jcim.3c01153 · 2023 · External reference
Incorporation of surface tension into molecular dynamics simulation of an interface: A fluid phase lipid bilayer membrane
10.1016/s0006-3495(95)80005-6 · 1995 · External reference
Calculations of free energy of surface interactions in crystalline polyethylene
10.1063/1.5031026 · 2018 · External reference
Computational study of structural and energetic properties of ammonium perchlorate at interfaces
10.1021/acs.jpcc.1c01551 · 2021 · External reference
Uncertainty quantification in molecular dynamics studies of the glass transition temperature
10.1016/j.polymer.2016.01.074 · 2016 · External reference
Consistent and reproducible computation of the glass transition temperature from molecular dynamics simulations
10.1063/5.0207835 · 2024 · External reference
Interface and surface effects on the glass-transition temperature in thin polymer films
10.1039/fd9949800219 · 1994 · External reference
On the glass transition in ultrathin polymer films of different molecular architecture
10.1002/(sici)1521-3935(19980701)199:7<1435::aid-macp1435>3.0.co;2-# · 1998 · External reference
Dependence of the glass transition temperature of polymer films on interfacial energy and thickness
10.1021/ma001932q · 2001 · External reference
Effect of strongly favorable substrate interactions on the thermal properties of ultrathin polymer films
10.1103/physreve.53.r2053 · 1996 · External reference
Glass transitions and dynamics in thin polymer films: Dielectric relaxation of thin films of polystyrene
10.1103/physreve.61.1743 · 2000 · External reference
Unresolved reference
2009 · External reference
The glass transition temperature of PMMA: A molecular dynamics study and comparison of various determination methods
10.1016/j.eurpolymj.2017.03.056 · 2017 · External reference
Molecular dynamics simulation of stretching-induced ductility for polystyrene
10.1016/j.polymer.2024.127182 · 2024 · External reference
Effects of strong confinement on the glass-transition temperature in simulated atactic polystyrene films
10.1021/ma102567s · 2011 · External reference
Unresolved reference
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Surface orientation of polystyrene based polymers: Steric effects from pendant groups on the phenyl ring
10.1021/la303507e · 2012 · External reference
Effects of high-temperature annealing on structural and mechanical properties of amorphous carbon materials investigated by molecular dynamics simulations
10.1016/j.carbon.2025.120006 · 2025 · External reference
Simple method for lowering poly(methyl methacrylate) surface energy with fluorination
10.1038/pj.2014.91 · 2015 · External reference
Unresolved reference
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The effects of enhancing the surface energy of a polystyrene plate by air atmospheric pressure plasma jet on early attachment of fibroblast under moving incubation
10.1016/j.tsf.2013.04.105 · 2013 · External reference
