GolP-CHARMM: First-Principles Based Force Fields for the Interaction of Proteins with Au(111) and Au(100).
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Control of protein orientation on gold nanoparticles.Perspectives on the simulation of protein-surface interactions using empirical force field methods.Efficient parametrization of complex molecule-surface force fields.Force fields for simulating the interaction of surfaces with biological moleculesSurface-site reactivity in small-molecule adsorption: A theoretical study of thiol binding on multi-coordinated gold clusters.Protein-Ligand Interaction Detection with a Novel Method of Transient Induced Molecular Electronic Spectroscopy (TIMES): Experimental and Theoretical Studies.Simulations of inorganic-bioorganic interfaces to discover new materials: insights, comparisons to experiment, challenges, and opportunities.Modeling and simulation of protein-surface interactions: achievements and challenges.Toward a modular multi-material nanoparticle synthesis and assembly strategy via bionanocombinatorics: bifunctional peptides for linking Au and Ag nanomaterials.Non-covalent adsorption of amino acid analogues on noble-metal nanoparticles: influence of edges and vertices.NANOGOLD decorated by pHLIP peptide: comparative force field study.Parameterization of an interfacial force field for accurate representation of peptide adsorption free energy on high-density polyethylene.A molecular dynamics simulation study of the electric double layer and capacitance of [BMIM][PF6] and [BMIM][BF4] room temperature ionic liquids near charged surfaces.Fibrillation-prone conformations of the amyloid-β-42 peptide at the gold/water interface.Molecular dynamics simulation of a DOPA/ST monolayer on the Au(111) surface.Understanding and Designing the Gold-Bio Interface: Insights from Simulations.NanoEHS beyond Toxicity - Focusing on Biocorona.Non-linear optical properties of molecules in heterogeneous environments: a quadratic density functional/molecular mechanics response theory.Analysis of the conformational properties of amine ligands at the gold/water interface with QM, MM and QM/MM simulations.Increase in the β-Sheet Character of an Amyloidogenic Peptide upon Adsorption onto Gold and Silver Surfaces.Reply to "Molecular mechanics models for the image charge".Insight into induced charges at metal surfaces and biointerfaces using a polarizable Lennard-Jones potential.Facet selectivity in gold binding peptides: exploiting interfacial water structure.Ubiquitin immobilized on mesoporous MCM41 silica surfaces - Analysis by solid-state NMR with biophysical and surface characterization.Triggering nanoparticle surface ligand rearrangement via external stimuli: light-based actuation of biointerfaces.An improved DNA force field for ssDNA interactions with gold nanoparticles.Controlled synthesis of highly-branched plasmonic gold nanoparticles through peptoid engineering.The interaction with gold suppresses fiber-like conformations of the amyloid β (16–22) peptideElucidating the influence of materials-binding peptide sequence on Au surface interactions and colloidal stability of Au nanoparticlesBare surface of gold nanoparticle induces inflammation through unfolding of plasma fibrinogen
P2860
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P2860
GolP-CHARMM: First-Principles Based Force Fields for the Interaction of Proteins with Au(111) and Au(100).
description
2013 nî lūn-bûn
@nan
2013年の論文
@ja
2013年論文
@yue
2013年論文
@zh-hant
2013年論文
@zh-hk
2013年論文
@zh-mo
2013年論文
@zh-tw
2013年论文
@wuu
2013年论文
@zh
2013年论文
@zh-cn
name
GolP-CHARMM: First-Principles ...... eins with Au(111) and Au(100).
@en
type
label
GolP-CHARMM: First-Principles ...... eins with Au(111) and Au(100).
@en
prefLabel
GolP-CHARMM: First-Principles ...... eins with Au(111) and Au(100).
@en
P356
P1476
GolP-CHARMM: First-Principles ...... eins with Au(111) and Au(100).
@en
P2093
Louise B Wright
P Mark Rodger
P304
P356
10.1021/CT301018M
P577
2013-02-13T00:00:00Z