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Molecular Dynamics Simulation to Investigate the Influence of SBS on Molecular Agglomeration Behavior of AsphaltDing, Yongjie; Tang, Boming; Zhang, Yuzhen; Wei, Jianming; Cao, Xuejuan · Journal of Materials in Civil Engineering · 2015
The influence of simulation conditions in molecular dynamics investigations of model β-sheet peptidesLuca Monticelli; Giorgio Colombo · 2004
Computational investigations of the influence of polymorphism on the lattice dynamics of molecular organic crystalsDay, G. M. · Acta Crystallographica Section A Foundations of Crystallography · 2006
The influence of a protein on water dynamics in its vicinity investigated by molecular dynamics simulationAbseher, Roger; Schreiber, Hellfried; Steinhauser, Othmar · Proteins: Structure, Function, and Genetics · 1996
Analytical and molecular dynamical investigations of the influence of molecular vibrations upon the (e,2e) electron momentum distributions of furanMorini, F; Deleuze, M S; Watanabe, N; Takahashi, M · Journal of Physics: Conference Series · 2015
A Molecular Dynamics Investigation of the Influence of Hydration and Temperature on Structural and Dynamical Properties of a Dimyristoylphosphatidylcholine BilayerHögberg, Carl-Johan; Lyubartsev, Alexander P. · The Journal of Physical Chemistry B · 2006
Investigation of the influence factors of polyethylene molecule encapsulated into carbon nanotubes by molecular dynamics simulationQun Li; Guofang He; Rengao Zhao; Yanfei Li · 2011
The influence of the hexopyranose ring geometry on the conformation of glycosidic linkages investigated using molecular dynamics simulationsPlazinski, Wojciech; Drach, Mateusz · Carbohydrate Research · 2015
Driving engineering of novel antimicrobial peptides from simulations of peptide–micelle interactionsHimanshu Khandelia; Allison A. Langham; Yiannis N. Kaznessis · 2006
Relative free energy of binding between antimicrobial peptides and SDS or DPC micellesSayyed-Ahmad, Abdallah; Khandelia, Himanshu; Kaznessis, Yiannis N. · Molecular Simulation · 2009
Molecular dynamics simulations of helical antimicrobial peptides in SDS micelles: What do point mutations achieve?Himanshu Khandelia; Yiannis N. Kaznessis · 2005
Cation−π Interactions Stabilize the Structure of the Antimicrobial Peptide Indolicidin near Membranes: Molecular Dynamics SimulationsKhandelia, Himanshu; Kaznessis, Yiannis N. · The Journal of Physical Chemistry B · 2007
Correlation between simulated physicochemical properties and hemolycity of protegrin-like antimicrobial peptides: Predicting experimental toxicityAllison A. Langham; Himanshu Khandelia; Benjamin Schuster; Alan J. Waring; Robert I. Lehrer; Yiannis N. Kaznessis · 2008
Structure of the antimicrobial β-hairpin peptide protegrin-1 in a DLPC lipid bilayer investigated by molecular dynamics simulationHimanshu Khandelia; Yiannis N. Kaznessis · 2007
Molecular Dynamics Simulations of the Helical Antimicrobial Peptide Ovispirin-1 in a Zwitterionic Dodecylphosphocholine Micelle: Insights into Host-Cell ToxicityKhandelia, Himanshu; Kaznessis, Yiannis N. · The Journal of Physical Chemistry B · 2005