Related references
Note: Only part of the references are listed.Machine-learning based prediction of small molecule-surface interaction potentials
Ian Rouse et al.
FARADAY DISCUSSIONS (2023)
In-Depth Study of Heavy Metal Removal by an Etidronic Acid-Functionalized Layered Double Hydroxide
Sidi Zhu et al.
ACS APPLIED MATERIALS & INTERFACES (2022)
Experimental and Theoretical Studies on the Intercalation of Naproxen into the Mg2Al and Zn2Al Layered Double Hydroxides by Ion Exchange Reaction
Mariana Pires Figueiredo et al.
JOURNAL OF PHARMACEUTICAL SCIENCES (2022)
Toxicity of Nanoparticles in Biomedical Application: Nanotoxicology
Chukwuebuka Egbuna et al.
JOURNAL OF TOXICOLOGY (2021)
Atomistic Perspective on Biomolecular Adsorption on Functionalized Carbon Nanomaterials under Ambient Conditions
Marzieh Saeedimasine et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2021)
Atomistic simulations of gold surface functionalization for nanoscale biosensors applications
Sutapa Dutta et al.
NANOTECHNOLOGY (2021)
Graphene-Doped Poly (Methyl-Methacrylate) (Pmma) Implants: A Micro-CT and Histomorphometrical Study in Rabbits
Antonio Scarano et al.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (2021)
Lessons from a Challenging System: Accurate Adsorption Free Energies at the Amino Acid/ZnO Interface
Monika Michaelis et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2021)
Design of peptides with strong binding affinity to poly(methyl methacrylate) resin by use of molecular simulation-based materials informatics
Tomio Iwasaki et al.
POLYMER JOURNAL (2021)
First principles characterisation of bio-nano interface
Ian Rouse et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2021)
NanoSolveIT Project: Driving nanoinformatics research to develop innovative and integrated tools for in silico nanosafety assessment
Antreas Afantitis et al.
COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL (2020)
Studies of Dynamic Binding of Amino Acids to TiO2 Nanoparticle Surfaces by Solution NMR and Molecular Dynamics Simulations
Mengjun Xue et al.
LANGMUIR (2020)
Improved Sampling in Ab Initio Free Energy Calculations of Biomolecules at Solid-Liquid Interfaces: Tight-Binding Assessment of Charged Amino Acids on TiO2 Anatase (101)
Lorenzo Agosta et al.
COMPUTATION (2020)
Promoting transparency and reproducibility in enhanced molecular simulations
Massimiliano Bonomi et al.
NATURE METHODS (2019)
Antibiotic-Loaded Polymethylmethacrylate Beads and Spacers in Treatment of Orthopedic Infections and the Role of Biofilm Formation
Tom A. G. van Vugt et al.
FRONTIERS IN MICROBIOLOGY (2019)
A multiscale model of protein adsorption on a nanoparticle surface
David Power et al.
MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING (2019)
Sustaining Antibiotic Release from a Poly(methyl methacrylate) Bone-Spacer
Pongpat Oungeun et al.
ACS OMEGA (2019)
Polymer Nanocomposites for Photocatalytic Applications
Violeta Melinte et al.
CATALYSTS (2019)
Structure and Dynamics of the Liquid-Water/Zinc-Oxide Interface from Machine Learning Potential Simulations
Vanessa Quaranta et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2019)
Investigation of Structural, Optical and Electrical Performance of ZnS Sensitized PMMA Nanocomposite as an Emissive Layer for OLED Application
Debashish Nayak et al.
PROF. DINESH VARSHNEY MEMORIAL NATIONAL CONFERENCE ON PHYSICS AND CHEMISTRY OF MATERIALS (NCPCM 2018) (2019)
Fabrication of PMMA/ZnO nanocomposite: effect of high nanoparticles loading on the optical and thermal properties
Salim Hammani et al.
JOURNAL OF MATERIALS SCIENCE (2018)
Dependence of Nanoparticle Toxicity on Their Physical and Chemical Properties
Alyona Sukhanova et al.
NANOSCALE RESEARCH LETTERS (2018)
ZnS coating for enhanced environmental stability and improved properties of ZnO thin films
Anna Baranowska-Korczyc et al.
RSC ADVANCES (2018)
Dependence of Nanoparticle Toxicity on Their Physical and Chemical Properties
Alyona Sukhanova et al.
NANOSCALE RESEARCH LETTERS (2018)
Nanoparticles in Daily Life: Applications, Toxicity and Regulations
Ritu Gupta et al.
JOURNAL OF ENVIRONMENTAL PATHOLOGY TOXICOLOGY AND ONCOLOGY (2018)
Antimicrobial Activity of Amino Acid-Capped Zinc and Copper Sulphide Nanoparticles
Thapelo P. Mofokeng et al.
JOURNAL OF NANOTECHNOLOGY (2018)
Diffusion and reaction pathways of water near fully hydrated TiO2 surfaces from ab initio molecular dynamics
Lorenzo Agosta et al.
JOURNAL OF CHEMICAL PHYSICS (2017)
Interaction of insulin with colloidal ZnS quantum dots functionalized by various surface capping agents
Ghader Hosseinzadeh et al.
MATERIALS SCIENCE & ENGINEERING C-MATERIALS FOR BIOLOGICAL APPLICATIONS (2017)
Application of semiconductor quantum dots in bioimaging and biosensing
I. V. Martynenko et al.
JOURNAL OF MATERIALS CHEMISTRY B (2017)
Dominance of Dispersion Interactions and Entropy over Electrostatics in Determining the Wettability and Friction of Two-Dimensional MoS2 Surfaces
Ananth Govind Rajan et al.
ACS NANO (2016)
Unfolding of insulin at the surface of ZnO quantum dots
Ghader Hosseinzadeh et al.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES (2016)
Binding Preferences of Amino Acids for Gold Nanoparticles: A Molecular Simulation Study
Qing Shao et al.
LANGMUIR (2016)
Interaction Potential Models for Bulk ZnS, ZnS Nanoparticle, and ZnS Nanoparticle-PMMA From First-Principles
Sadanandam Namsani et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2015)
Molecular Dynamics Simulations of Adsorption of Amino Acid Side Chain Analogues and a Titanium Binding Peptide on the TiO2 (100) Surface
Erik G. Brandt et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2015)
Study on effective thermal conductivity of zinc sulphide/poly(methyl methacrylate) nanocomposites
Sonalika Agarwal et al.
APPLIED NANOSCIENCE (2015)
PLUMED 2: New feathers for an old bird
Gareth A. Tribello et al.
COMPUTER PHYSICS COMMUNICATIONS (2014)
Genotoxicity and Cytotoxicity of Cadmium Sulfide Nanomaterials to Mice: Comparison Between Nanorods and Nanodots
Lu Liu et al.
ENVIRONMENTAL ENGINEERING SCIENCE (2014)
Interactions of aqueous amino acids and proteins with the (110) surface of ZnS in molecular dynamics simulations
Grzegorz Nawrocki et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
ZnS nanoparticles well dispersed in ethylene glycol: coordination control synthesis and application as nanocomposite optical coatings
Yuanrong Cheng et al.
NANOTECHNOLOGY (2014)
Nonlinear optical second harmonic generation in ZnS quantum dots and observation on optical properties of ZnS/PMMA nanocomposites
A. K. Kole et al.
OPTICS COMMUNICATIONS (2014)
The Preparation and Characterization of ZnS/PMMA Nanocomposites
Yuzhen Li et al.
SYNTHESIS AND REACTIVITY IN INORGANIC METAL-ORGANIC AND NANO-METAL CHEMISTRY (2014)
Synthesis and Characterization of Metal Sulfides Nanoparticles/Poly(methyl methacrylate) Nanocomposites
Peter A. Ajibade et al.
INTERNATIONAL JOURNAL OF POLYMER SCIENCE (2014)
Physicochemical Properties of Nanomaterials: Implication in Associated Toxic Manifestations
Manzoor Ahmad Gatoo et al.
BIOMED RESEARCH INTERNATIONAL (2014)
Why are nanomaterials different and how can they be appropriately regulated under REACH?
Kathrin Schwirn et al.
Environmental Sciences Europe (2014)
Semiconductor Quantum Dots for Bioimaging and Biodiagnostic Applications
Brad A. Kairdolf et al.
ANNUAL REVIEW OF ANALYTICAL CHEMISTRY, VOL 6 (2013)
Amino acids and proteins at ZnO-water interfaces in molecular dynamics simulations
Grzegorz Nawrocki et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2013)
The cytotoxicity of cadmium-based quantum dots
Nan Chen et al.
BIOMATERIALS (2012)
ACPYPE - AnteChamber PYthon Parser interfacE
Alan W. Sousa da Silva et al.
BMC RESEARCH NOTES (2012)
Luminescence of Polyethylene Glycol Coated CdSeTe/ZnS and InP/ZnS Nanoparticles in the Presence of Copper Cations
Gregory Beaune et al.
CHEMPHYSCHEM (2011)
Rationalization of the Behavior of Solid-Liquid Surface Free Energy of Water in Cassie and Wenzel Wetting States on Rugged Solid Surfaces at the Nanometer Scale
Frederic Leroy et al.
LANGMUIR (2011)
Nanoporous poly(methyl methacrylate)-quantum dots nanocomposite fibers toward biomedical applications
Suying Wei et al.
POLYMER (2011)
Microscopic Mechanism of Specific Peptide Adhesion to Semiconductor Substrates
Michael Bachmann et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2010)
The Conformations of Amino Acids on a Gold(111) Surface
Martin Hoefling et al.
CHEMPHYSCHEM (2010)
Influence of amino acids cysteine and serine on aggregation kinetics of zinc and mercury sulfide colloids
Andreas P. Gondikas et al.
JOURNAL OF COLLOID AND INTERFACE SCIENCE (2010)
Direct and Selective Immobilization of Proteins by Means of an Inorganic Material-Binding Peptide: Discussion on Functionalization in the Elongation to Material-Binding Peptide
Nozomi Yokoo et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2010)
The cytotoxicity of cadmium based, aqueous phase - Synthesized, quantum dots and its modulation by surface coating
Yuanyuan Su et al.
BIOMATERIALS (2009)
PLUMED: A portable plugin for free-energy calculations with molecular dynamics
Massimiliano Bonomi et al.
COMPUTER PHYSICS COMMUNICATIONS (2009)
Quantum dots versus organic dyes as fluorescent labels
Ute Resch-Genger et al.
NATURE METHODS (2008)
Fluorescence correlation spectroscopy of CdSe/ZnS quantum dot optical bioimaging probes with ultra-thin biocompatible coatings
Michael J. Murcia et al.
OPTICS COMMUNICATIONS (2008)
Quantifying RNA - Peptide interaction by single-quantum dot-based nanosensor: An approach fair drug screening
Chun-Yang Zhang et al.
ANALYTICAL CHEMISTRY (2007)
Effect of surface polarity on water contact angle and interfacial hydration structure
Nicolas Giovambattista et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2007)
Use of fluorescent quantum dot bioconjugates for cellular imaging of immune cells, cell organelle labeling, and nanomedicine: surface modification regulates biological function, including cytotoxicity
Akiyoshi Hoshino et al.
JOURNAL OF ARTIFICIAL ORGANS (2007)
On the generation of free radical species from quantum dots
BI Ipe et al.
SMALL (2005)
Physisorption of hydroxide ions from aqueous solution to a hydrophobic surface
R Zangi et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2005)
Cytotoxicity of colloidal CdSe and CdSe/ZnS nanoparticles
C Kirchner et al.
NANO LETTERS (2005)
Development and testing of a general amber force field
JM Wang et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2004)
Bioactivation and cell targeting of semiconductor CdSe/ZnS nanocrystals with phytochelatin-related peptides
F Pinaud et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2004)
Escaping free-energy minima
A Laio et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2002)
Selection of peptides with semiconductor binding specificity for directed nanocrystal assembly
SR Whaley et al.
NATURE (2000)