4.6 Review

Nanoengineering in biomedicine: Current development and future perspectives

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Review Biochemistry & Molecular Biology

Machine learning for protein folding and dynamics

Frank Noe et al.

CURRENT OPINION IN STRUCTURAL BIOLOGY (2020)

Article Engineering, Manufacturing

Interfacial performance of aramid, basalt and carbon fiber reinforced polymer bonded concrete exposed to high temperature

Ao Zhou et al.

COMPOSITES PART A-APPLIED SCIENCE AND MANUFACTURING (2020)

Article Engineering, Multidisciplinary

Epoxy resin thermo-mechanics and failure modes: Effects of cure and cross-linker length

Sanjib C. Chowdhury et al.

COMPOSITES PART B-ENGINEERING (2020)

Article Materials Science, Composites

Understanding the effect of functionalization in CNT-epoxy nanocomposite from molecular level

Wei Jian et al.

COMPOSITES SCIENCE AND TECHNOLOGY (2020)

Article Chemistry, Multidisciplinary

Generative Deep Neural Networks for Inverse Materials Design Using Backpropagation and Active Learning

Chun-Teh Chen et al.

ADVANCED SCIENCE (2020)

Article Chemistry, Multidisciplinary

Machine learning model for fast prediction of the natural frequencies of protein molecules

Zhao Qin et al.

RSC ADVANCES (2020)

Article Biochemical Research Methods

Antibody-coated microstructures for selective isolation of immune cells in blood

Jiyu Li et al.

LAB ON A CHIP (2020)

Review Biotechnology & Applied Microbiology

Recent advances in machine learning towards multiscale soft materials design

Nicholas E. Jackson et al.

CURRENT OPINION IN CHEMICAL ENGINEERING (2019)

Article Chemistry, Physical

Machine-Learning Based Stacked Ensemble Model for Accurate Analysis of Molecular Dynamics Simulations

Samrendra K. Singh et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2019)

Review Chemistry, Physical

Recent advances and applications of machine learning in solid-state materials science

Jonathan Schmidt et al.

NPJ COMPUTATIONAL MATERIALS (2019)

Article Chemistry, Physical

Creep performance of CNT-based nanocomposites: A parametric study

Wei Jian et al.

CARBON (2019)

Article Chemistry, Physical

Machine Learning Classical Interatomic Potentials for Molecular Dynamics from First-Principles Training Data

Henry Chan et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2019)

Article Biochemistry & Molecular Biology

Tropoelastin is a Flexible Molecule that Retains its Canonical Shape

Anna Tarakanova et al.

MACROMOLECULAR BIOSCIENCE (2019)

Article Engineering, Biomedical

Coarse-grained model of tropoelastin self-assembly into nascent fibrils

A. Tarakanova et al.

MATERIALS TODAY BIO (2019)

Review Chemistry, Multidisciplinary

Recent progress in shape memory polymer composites: methods, properties, applications and prospects

Ming Lei et al.

NANOTECHNOLOGY REVIEWS (2019)

Article Nanoscience & Nanotechnology

Gauging the Nanotoxicity of h2D-C2N toward Single-Stranded DNA: An in Silico Molecular Simulation Approach

Titas Kumar Mukhopadhyay et al.

ACS APPLIED MATERIALS & INTERFACES (2018)

Article Nanoscience & Nanotechnology

Elucidating the Variable-Temperature Mechanical Properties of a Negative Thermal Expansion Metal Organic Framework

Jurn Heinen et al.

ACS APPLIED MATERIALS & INTERFACES (2018)

Article Thermodynamics

Modified embedded-atom method interatomic potentials for pure Zn and Mg-Zn binary system

Hyo-Sun Jang et al.

CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY (2018)

Article Chemistry, Applied

Tailor-made conductive inks from cellulose nanofibrils for 3D printing of neural guidelines

Volodymyr Kuzmenko et al.

CARBOHYDRATE POLYMERS (2018)

Article Engineering, Multidisciplinary

Nano-engineering of construction materials using molecular dynamics simulations: Prospects and challenges

Denvid Lau et al.

COMPOSITES PART B-ENGINEERING (2018)

Article Engineering, Multidisciplinary

Atomistic study of interfacial creep behavior in epoxy-silica bilayer system

Wei Jian et al.

COMPOSITES PART B-ENGINEERING (2018)

Article Engineering, Multidisciplinary

A comparison study on mechanical properties of polymer composites reinforced by carbon nanotubes and graphene sheet

Yunlong Li et al.

COMPOSITES PART B-ENGINEERING (2018)

Article Chemistry, Physical

AMOEBA Polarizable Atomic Multipole Force Field for Nucleic Acids

Changsheng Zhang et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2018)

Article Chemistry, Physical

Molecular Dynamics Simulations of Metal Nanoparticles in Deep Eutectic Solvents

Mert Atilhan et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2018)

Article Chemistry, Physical

Recruiting machine learning methods for molecular simulations of proteins

Shriyaa Mittal et al.

MOLECULAR SIMULATION (2018)

Article Multidisciplinary Sciences

Molecular model of human tropoelastin and implications of associated mutations

Anna Tarakanova et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2018)

Article Chemistry, Multidisciplinary

Understanding the origins of metal-organic framework/polymer compatibility

R. Semino et al.

CHEMICAL SCIENCE (2018)

Article Multidisciplinary Sciences

Additive manufacturing of 3D nano-architected metals

Andrey Vyatskikh et al.

NATURE COMMUNICATIONS (2018)

Review Materials Science, Biomaterials

Nanoscale metal-organic frameworks for drug delivery: a conventional platform with new promise

Lei Wang et al.

JOURNAL OF MATERIALS CHEMISTRY B (2018)

Article Materials Science, Multidisciplinary

Molecular dynamics-based cohesive zone representation of Ti6Al4V/TiC composite interface

Mohamed G. Elkhateeb et al.

MATERIALS & DESIGN (2018)

Article Multidisciplinary Sciences

Ultrafast selective transport of alkali metal ions in metal organic frameworks with subnanometer pores

Huacheng Zhang et al.

SCIENCE ADVANCES (2018)

Article Engineering, Biomedical

Antibiotic-loaded nanoparticles targeted to the site of infection enhance antibacterial efficacy

Sazid Hussain et al.

NATURE BIOMEDICAL ENGINEERING (2018)

Review Chemistry, Multidisciplinary

Synthesis and Biomedical Applications of Multifunctional Nanoparticles

Dokyoon Kim et al.

ADVANCED MATERIALS (2018)

Review Multidisciplinary Sciences

Machine learning for molecular and materials science

Keith T. Butler et al.

NATURE (2018)

Article Multidisciplinary Sciences

Towards exact molecular dynamics simulations with machine-learned force fields

Stefan Chmiela et al.

NATURE COMMUNICATIONS (2018)

Article Chemistry, Physical

Developing an interatomic potential for martensitic phase transformations in zirconium by machine learning

Hongxiang Zong et al.

NPJ COMPUTATIONAL MATERIALS (2018)

Review Engineering, Multidisciplinary

A Review of 3D Printing Technology for Medical Applications

Qian Yan et al.

ENGINEERING (2018)

Article Chemistry, Physical

Machine Learning Force Field Parameters from Ab lnitio Data

Ying Li et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2017)

Article Chemistry, Physical

Revised RNA Dihedral Parameters for the Amber Force Field Improve RNA Molecular Dynamics

Asaminew H. Aytenfisu et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2017)

Article Chemistry, Physical

Thermal Stability of Co-Pt and Co-Au Core-Shell Structured Nanoparticles: Insights from Molecular Dynamics Simulations

Yu-Hua Wen et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2017)

Article Multidisciplinary Sciences

Probing the limits of metal plasticity with molecular dynamics simulations

Luis A. Zepeda-Ruiz et al.

NATURE (2017)

Article Chemistry, Multidisciplinary

A two-dimensional conjugated aromatic polymer via C-C coupling reaction

Wei Liu et al.

NATURE CHEMISTRY (2017)

Article Chemistry, Physical

Liquid metal-organic frameworks

Romain Gaillac et al.

NATURE MATERIALS (2017)

Article Chemistry, Multidisciplinary

Machine learning molecular dynamics for the simulation of infrared spectra

Michael Gastegger et al.

CHEMICAL SCIENCE (2017)

Article Multidisciplinary Sciences

Molecular dynamics simulations reveal ligand-controlled positioning of a peripheral protein complex in membranes

Steven M. Ryckbosch et al.

NATURE COMMUNICATIONS (2017)

Article Multidisciplinary Sciences

Redox-switchable breathing behavior in tetrathiafulvalene-based metal-organic frameworks

Jian Su et al.

NATURE COMMUNICATIONS (2017)

Article Materials Science, Biomaterials

Multiscale simulations reveal IRMOF-74-III as a potent drug carrier for gemcitabine delivery

Marianna Kotzabasaki et al.

JOURNAL OF MATERIALS CHEMISTRY B (2017)

Article Multidisciplinary Sciences

Machine learning of accurate energy-conserving molecular force fields

Stefan Chmiela et al.

SCIENCE ADVANCES (2017)

Article Chemistry, Physical

A universal strategy for the creation of machine learning-based atomistic force fields

Tran Doan Huan et al.

NPJ COMPUTATIONAL MATERIALS (2017)

Article Multidisciplinary Sciences

Energy-free machine learning force field for aluminum

Ivan Kruglov et al.

SCIENTIFIC REPORTS (2017)

Article Chemistry, Physical

Atomistic modeling of metallic thin films by modified embedded atom method

Huali Hao et al.

APPLIED SURFACE SCIENCE (2017)

Article Engineering, Multidisciplinary

Enhancement of tribological properties of polymer composites reinforced by functionalized graphene

Yunlong Li et al.

COMPOSITES PART B-ENGINEERING (2017)

Article Construction & Building Technology

Debonding of concrete-epoxy interface under the coupled effect of moisture and sustained load

Ao Zhou et al.

CEMENT & CONCRETE COMPOSITES (2017)

Review Engineering, Biomedical

3D printing of nano-cellulosic biomaterials for medical applications

Sahar Sultan et al.

CURRENT OPINION IN BIOMEDICAL ENGINEERING (2017)

Article Engineering, Biomedical

Computational smart polymer design based on elastin protein mutability

Anna Tarakanova et al.

BIOMATERIALS (2017)

Article Nanoscience & Nanotechnology

Alkane-Metal Interfacial Structure and Elastic Properties by Molecular Dynamics Simulation

Katherine Sebeck et al.

ACS APPLIED MATERIALS & INTERFACES (2016)

Article Chemistry, Multidisciplinary

Confined, Oriented, and Electrically Anisotropic Graphene Wrinkles on Bacteria

Shikai Deng et al.

ACS NANO (2016)

Review Engineering, Biomedical

Nanoparticles in practice for molecular-imaging applications: An overview

Parasuraman Padmanabhan et al.

ACTA BIOMATERIALIA (2016)

Article Chemistry, Multidisciplinary

From Gold Nanoseeds to Nanorods: The Microscopic Origin of the Anisotropic Growth

Santosh Kumar Meena et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2016)

Review Chemistry, Multidisciplinary

Coarse-Grained Protein Models and Their Applications

Sebastian Kmiecik et al.

CHEMICAL REVIEWS (2016)

Article Pharmacology & Pharmacy

Towards better modelling of drug-loading in solid lipid nanoparticles: Molecular dynamics, docking experiments and Gaussian Processes machine learning

Rania M. Hathout et al.

EUROPEAN JOURNAL OF PHARMACEUTICS AND BIOPHARMACEUTICS (2016)

Article Engineering, Chemical

Efficient Storage of Drug and Cosmetic Molecules in Biocompatible Metal Organic Frameworks: A Molecular Simulation Study

Ilknur Erucar et al.

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH (2016)

Article Chemistry, Physical

A GROMOS-Compatible Force Field for Small Organic Molecules in the Condensed Phase: The 2016H66 Parameter Set

Bruno A. C. Horta et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2016)

Article Chemistry, Multidisciplinary

Combined Molecular Dynamics Simulations and Experimental Studies of the Structure and Dynamics of Poly-Amido-Saccharides

Stacy L. Chin et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2016)

Article Materials Science, Biomaterials

Peptide-based biocoatings for corrosion protection of stainless steel biomaterial in a chloride solution

Noah G. G. Muruve et al.

MATERIALS SCIENCE & ENGINEERING C-MATERIALS FOR BIOLOGICAL APPLICATIONS (2016)

Article Cell Biology

Aurora kinase inhibitor nanoparticles target tumors with favorable therapeutic index in vivo

Susan Ashton et al.

SCIENCE TRANSLATIONAL MEDICINE (2016)

Article Chemistry, Physical

Molecular dynamics simulations of uniaxial deformation of thermoplastic polyimides

V. M. Nazarychev et al.

SOFT MATTER (2016)

Article Multidisciplinary Sciences

Conformation and dynamics of the ligand shell of a water-soluble Au-102 nanoparticle

Kirsi Salorinne et al.

NATURE COMMUNICATIONS (2016)

Article Multidisciplinary Sciences

Intercalated water layers promote thermal dissipation at bio-nano interfaces

Yanlei Wang et al.

NATURE COMMUNICATIONS (2016)

Article Engineering, Chemical

Validation of polarizable force field parameters for nucleic acids by inter-molecular interactions

Liaoran Cao et al.

FRONTIERS OF CHEMICAL SCIENCE AND ENGINEERING (2016)

Article Multidisciplinary Sciences

Robust Denaturation of Villin Headpiece by MoS2 Nanosheet: Potential Molecular Origin of the

Zonglin Gu et al.

SCIENTIFIC REPORTS (2016)

Article Chemistry, Multidisciplinary

Liquid-Phase Exfoliation of Phosphorene: Design Rules from Molecular Dynamics Simulations

Vishnu Sreshtt et al.

ACS NANO (2015)

Article Materials Science, Multidisciplinary

In situ investigation of MgO nanocube deformation at room temperature

I. Issa et al.

ACTA MATERIALIA (2015)

Article Materials Science, Multidisciplinary

Role of grain size on the martensitic transformation and ultra-fast superelasticity in shape memory alloys

Keith R. Morrison et al.

ACTA MATERIALIA (2015)

Article Engineering, Biomedical

Graphene oxide-BaGdF5 nanocomposites for multi-modal imaging and photothermal therapy

Hao Zhang et al.

BIOMATERIALS (2015)

Article Engineering, Multidisciplinary

Effect of moisture on the mechanical properties of CFRP-wood composite: An experimental and atomistic investigation

Ao Zhou et al.

COMPOSITES PART B-ENGINEERING (2015)

Article Chemistry, Physical

Molecular Dynamics Simulations of Intrinsically Disordered Proteins: Force Field Evaluation and Comparison with Experiment

Joao Henriques et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)

Article Materials Science, Multidisciplinary

Molecular dynamics study on stiffness and ductility in chitin-protein composite

Zechuan Yu et al.

JOURNAL OF MATERIALS SCIENCE (2015)

Article Biochemistry & Molecular Biology

Development of a coarse-grained α-chitin model on the basis of MARTINI forcefield

Zechuan Yu et al.

JOURNAL OF MOLECULAR MODELING (2015)

Article Chemistry, Physical

Interaction of collagen like peptides with gold nanosurfaces: a molecular dynamics investigation

R. Gopalakrishnan et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2015)

Article Multidisciplinary Sciences

Progress in material design for biomedical applications

Mark W. Tibbitt et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2015)

Article Chemistry, Physical

Predicting mechanical response of crosslinked epoxy using ReaxFF

Gregory M. Odegard et al.

CHEMICAL PHYSICS LETTERS (2014)

Article Multidisciplinary Sciences

A robust nanoscale experimental quantification of fracture energy in a bilayer material system

Denvid Lau et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2014)

Article Materials Science, Biomaterials

Effect of Acidity on Chitin-Protein Interface: A Molecular Dynamics Study

Zechuan Yu et al.

BIONANOSCIENCE (2014)

Review Materials Science, Multidisciplinary

Molecular modeling of protein materials: case study of elastin

Anna Tarakanova et al.

MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING (2013)

Article Multidisciplinary Sciences

In-fiber production of polymeric particles for biosensing and encapsulation

Joshua J. Kaufman et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2013)

Article Biochemistry & Molecular Biology

Metal binding sites of human H-chain ferritin and iron transport mechanism to the ferroxidase sites: A molecular dynamics simulation study

Rozita Laghaei et al.

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2013)

Review Engineering, Biomedical

The Effect of Nanoparticle Size, Shape, and Surface Chemistry on Biological Systems

Alexandre Albanese et al.

ANNUAL REVIEW OF BIOMEDICAL ENGINEERING, VOL 14 (2012)

Review Chemistry, Multidisciplinary

Design of polymeric nanoparticles for biomedical delivery applications

Mahmoud Elsabahy et al.

CHEMICAL SOCIETY REVIEWS (2012)

Article Multidisciplinary Sciences

Algorithm discovery by protein folding game players

Firas Khatib et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2011)

Review Biochemical Research Methods

Toxicity assessment of nanomaterials: methods and challenges

Alok Dhawan et al.

ANALYTICAL AND BIOANALYTICAL CHEMISTRY (2010)

Review Chemistry, Multidisciplinary

BioMOFs: Metal-Organic Frameworks for Biological and Medical Applications

Alistair C. McKinlay et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2010)

Review Construction & Building Technology

Nanotechnology in concrete - A review

Florence Sanchez et al.

CONSTRUCTION AND BUILDING MATERIALS (2010)

Article Chemistry, Physical

Prediction of Absolute Solvation Free Energies using Molecular Dynamics Free Energy Perturbation and the OPLS Force Field

Devleena Shivakumar et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2010)

Article Multidisciplinary Sciences

Predicting protein structures with a multiplayer online game

Seth Cooper et al.

NATURE (2010)

Article

Toxicity and Environmental Risks of Nanomaterials: Challenges and Future Needs

PARESH CHANDRA RAY et al.

JOURNAL OF ENVIRONMENTAL SCIENCE AND HEALTH PART C-ENVIRONMENTAL CARCINOGENESIS & ECOTOXICOLOGY REVIEWS (2009)

Article Chemistry, Physical

The MARTINI coarse-grained force field: Extension to proteins

Luca Monticelli et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2008)

Article Materials Science, Multidisciplinary

An embedded-atom potential for the Cu-Ag system

PL Williams et al.

MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING (2006)

Article Chemistry, Multidisciplinary

Molecular dynamics simulations of gas diffusion in metal-organic frameworks: Argon in CuBTC

AI Skoulidas

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2004)

Article Chemistry, Multidisciplinary

Development and testing of a general amber force field

JM Wang et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2004)

Article Materials Science, Multidisciplinary

Development of new interatomic potentials appropriate for crystalline and liquid iron

MI Mendelev et al.

PHILOSOPHICAL MAGAZINE (2003)

Review Biochemistry & Molecular Biology

Molecular dynamics simulations of biomolecules

M Karplus et al.

NATURE STRUCTURAL BIOLOGY (2002)

Article Materials Science, Multidisciplinary

Embedded-atom potential for B2-NiAl -: art. no. 224114

Y Mishin et al.

PHYSICAL REVIEW B (2002)

Article Materials Science, Multidisciplinary

Recent metallic materials for biomedical applications

M Niinomi

METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE (2002)

Article Materials Science, Multidisciplinary

Second nearest-neighbor modified embedded atom method potentials for bcc transition metals

BJ Lee et al.

PHYSICAL REVIEW B (2001)

Article Chemistry, Physical

ReaxFF: A reactive force field for hydrocarbons

ACT van Duin et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2001)

Review Materials Science, Composites

Biomedical applications of polymer-composite materials: a review

S Ramakrishna et al.

COMPOSITES SCIENCE AND TECHNOLOGY (2001)

Article Materials Science, Multidisciplinary

Second nearest-neighbor modified embedded-atom-method potential

BJ Lee et al.

PHYSICAL REVIEW B (2000)