Coarse-grained molecular dynamics integrated with convolutional neural network for comparing shapes of temperature sensitive bottlebrushes
Published 2022 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
Coarse-grained molecular dynamics integrated with convolutional neural network for comparing shapes of temperature sensitive bottlebrushes
Authors
Keywords
-
Journal
npj Computational Materials
Volume 8, Issue 1, Pages -
Publisher
Springer Science and Business Media LLC
Online
2022-03-18
DOI
10.1038/s41524-022-00725-7
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Inverse design of soft materials via a deep learning–based evolutionary strategy
- (2022) Gabriele M. Coli et al. Science Advances
- Molecular Weight Dependent Morphological Transitions of Bottlebrush Block Copolymer Particles: Experiments and Simulations
- (2021) Eun Ji Kim et al. ACS Nano
- Bottlebrush Polymers: from Controlled Synthesis, Self-Assembly, Properties to Applications
- (2021) Zili Li et al. PROGRESS IN POLYMER SCIENCE
- Dehydration of polymer chains initiates graphene folding in water
- (2021) Soumil Y. Joshi et al. CARBON
- Shape-Changing Bottlebrush Polymers
- (2021) Bin Zhao JOURNAL OF PHYSICAL CHEMISTRY B
- A review of computational studies of bottlebrush polymers
- (2021) Esmat Mohammadi et al. COMPUTATIONAL MATERIALS SCIENCE
- Self-Assembly of Allomelanin Dimers and the Impact of Poly(ethylene glycol) on the Assembly: A Molecular Dynamics Simulation Study
- (2020) Utkarsh Kapoor et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Machine learning surrogates for molecular dynamics simulations of soft materials
- (2020) J.C.S Kadupitiya et al. Journal of Computational Science
- Prediction of composite microstructure stress-strain curves using convolutional neural networks
- (2020) Charles Yang et al. MATERIALS & DESIGN
- A biological image classification method based on improved CNN
- (2020) Jiaohua Qin et al. Ecological Informatics
- Two-stage grasp strategy combining CNN-based classification and adaptive detection on a flexible hand
- (2020) Xiaoyan Chen et al. APPLIED SOFT COMPUTING
- 3D Deep Learning on Medical Images: A Review
- (2020) Satya P. Singh et al. SENSORS
- Development of Transferable Nonbonded Interactions between Coarse-Grained Hydrocarbon and Water Models
- (2019) Yaxin An et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Macromolecules with programmable shape, size, and chemistry
- (2019) Dylan J. Walsh et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Modeling and Simulations of Polymers: A Roadmap
- (2019) Thomas E. Gartner et al. MACROMOLECULES
- Getting into Shape: Reflections on a New Generation of Cylindrical Nanostructures’ Self-Assembly Using Polymer Building Blocks
- (2019) Jeffrey C. Foster et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- iMotor-CNN: Identifying molecular functions of cytoskeleton motor proteins using 2D convolutional neural network via Chou's 5-step rule
- (2019) Nguyen Quoc Khanh Le et al. ANALYTICAL BIOCHEMISTRY
- iSS-CNN: Identifying splicing sites using convolution neural network
- (2019) Hilal Tayara et al. CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
- Effect of Nanoparticle Shape on the Electrical and Thermal Properties of Solid Polymer Electrolytes
- (2019) Sandhya Vasudevan et al. Journal of Physical Chemistry C
- Simultaneous Inverse Design of Materials and Structures via Deep Learning: Demonstration of Dipole Resonance Engineering Using Core–Shell Nanoparticles
- (2019) Sunae So et al. ACS Applied Materials & Interfaces
- Engineering of Molecular Geometry in Bottlebrush Polymers
- (2019) Dylan J. Walsh et al. MACROMOLECULES
- Quantifying coral morphology
- (2019) Kyle J. A. Zawada et al. CORAL REEFS
- Coil–Globule Transition Thermodynamics of Poly(N-isopropylacrylamide)
- (2019) Maren Podewitz et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Unraveling the Conformations of Backbone and Side Chains in Thermosensitive Bottlebrush Polymers
- (2019) Karteek K. Bejagam et al. MACROMOLECULES
- Thermodynamics of Conformational Transitions in a Disordered Protein Backbone Model
- (2018) Justin A. Drake et al. BIOPHYSICAL JOURNAL
- Recent Trends in Deep Learning Based Natural Language Processing [Review Article]
- (2018) Tom Young et al. IEEE Computational Intelligence Magazine
- A volumetric technique for fossil body mass estimation applied to Australopithecus afarensis
- (2018) Charlotte A. Brassey et al. JOURNAL OF HUMAN EVOLUTION
- PSO-Assisted Development of New Transferable Coarse-Grained Water Models
- (2018) Karteek K. Bejagam et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Worm-to-Sphere Shape Transition of Thermoresponsive Linear Molecular Bottlebrushes in Moderately Concentrated Aqueous Solution
- (2018) Daniel M. Henn et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Development of New Transferable Coarse-Grained Models of Hydrocarbons
- (2018) Yaxin An et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Crystal Structure Prediction via Deep Learning
- (2018) Kevin Ryan et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- A comparative study of thermodynamic, conformational, and structural properties of bottlebrush with star and ring polymer melts
- (2018) Alexandros Chremos et al. JOURNAL OF CHEMICAL PHYSICS
- Machine-Learning Enabled New Insights into the Coil-to-Globule Transition of Thermosensitive Polymers Using a Coarse-Grained Model
- (2018) Karteek K. Bejagam et al. Journal of Physical Chemistry Letters
- 3D convolutional neural network for object recognition: a review
- (2018) Rahul Dev Singh et al. MULTIMEDIA TOOLS AND APPLICATIONS
- Ian Goodfellow, Yoshua Bengio, and Aaron Courville: Deep learning
- (2017) Jeff Heaton Genetic Programming and Evolvable Machines
- Molecular Dynamics Fingerprints (MDFP): Machine Learning from MD Data To Predict Free-Energy Differences
- (2017) Sereina Riniker Journal of Chemical Information and Modeling
- Machine learning and data science in soft materials engineering
- (2017) Andrew L Ferguson JOURNAL OF PHYSICS-CONDENSED MATTER
- Nonlinear machine learning in simulations of soft and biological materials
- (2017) J. Wang et al. MOLECULAR SIMULATION
- Protein contact maps: A binary depiction of protein 3D structures
- (2017) Isaac Arnold Emerson et al. PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS
- Factors affecting bottlebrush polymer synthesis by the transfer-to method using reversible addition–fragmentation chain transfer (RAFT) polymerization
- (2017) Scott C. Radzinski et al. Polymer Chemistry
- Structural properties of amyloid β(1-40) dimer explored by replica exchange molecular dynamics simulations
- (2017) Charles R. Watts et al. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
- Machine Learning and Network Analysis of Molecular Dynamics Trajectories Reveal Two Chains of Red/Ox-specific Residue Interactions in Human Protein Disulfide Isomerase
- (2017) Razieh Karamzadeh et al. Scientific Reports
- Tapered Bottlebrush Polymers: Cone-Shaped Nanostructures by Sequential Addition of Macromonomers
- (2017) Scott C. Radzinski et al. ACS Macro Letters
- ATSAS 2.8: a comprehensive data analysis suite for small-angle scattering from macromolecular solutions
- (2017) D. Franke et al. JOURNAL OF APPLIED CRYSTALLOGRAPHY
- Deep learning for natural language processing: advantages and challenges
- (2017) Hang Li National Science Review
- Role of nanoparticle size, shape and surface chemistry in oral drug delivery
- (2016) Amrita Banerjee et al. JOURNAL OF CONTROLLED RELEASE
- Scaling Laws of Bottle-Brush Polymers in Dilute Solutions
- (2016) Debarati Chatterjee et al. MACROMOLECULAR THEORY AND SIMULATIONS
- Water ordering controls the dynamic equilibrium of micelle–fibre formation in self-assembly of peptide amphiphiles
- (2016) Sanket A. Deshmukh et al. Nature Communications
- Bottlebrush Block Polymers: Quantitative Theory and Experiments
- (2015) Samuel J. Dalsin et al. ACS Nano
- A practical guide to small angle X-ray scattering (SAXS) of flexible and intrinsically disordered proteins
- (2015) Alexey G. Kikhney et al. FEBS LETTERS
- Deep learning
- (2015) Yann LeCun et al. NATURE
- The ligand binding mechanism to purine nucleoside phosphorylase elucidated via molecular dynamics and machine learning
- (2015) Sergio Decherchi et al. Nature Communications
- An advanced shape-fitting algorithm applied to quadrupedal mammals: improving volumetric mass estimates
- (2015) Charlotte A. Brassey et al. Royal Society Open Science
- Thermoresponsive PNIPAAM bottlebrush polymers with tailored side-chain length and end-group structure
- (2014) Xianyu Li et al. Soft Matter
- Effect of nanoparticle shape on the heat transfer and thermodynamic performance of a shell and tube heat exchanger
- (2013) M.M. Elias et al. INTERNATIONAL COMMUNICATIONS IN HEAT AND MASS TRANSFER
- PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data
- (2013) Daniel R. Roe et al. Journal of Chemical Theory and Computation
- Small-Angle Neutron Scattering Analysis of Bottlebrush Polymers Prepared via Grafting-Through Polymerization
- (2013) Stacy L. Pesek et al. MACROMOLECULES
- Rule-based approach to recognizing human body poses and gestures in real time
- (2013) Tomasz Hachaj et al. MULTIMEDIA SYSTEMS
- Mature HIV-1 capsid structure by cryo-electron microscopy and all-atom molecular dynamics
- (2013) Gongpu Zhao et al. NATURE
- Vibrational Spectra of Proximal Water in a Thermo-Sensitive Polymer Undergoing Conformational Transition Across the Lower Critical Solution Temperature
- (2012) Sanket A. Deshmukh et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Role of Solvation Dynamics and Local Ordering of Water in Inducing Conformational Transitions in Poly(N-isopropylacrylamide) Oligomers through the LCST
- (2012) Sanket A. Deshmukh et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Effects of Nanoparticle Charge and Shape Anisotropy on Translocation through Cell Membranes
- (2012) Shikha Nangia et al. LANGMUIR
- Oral drug delivery with polymeric nanoparticles: The gastrointestinal mucus barriers
- (2011) Laura M. Ensign et al. ADVANCED DRUG DELIVERY REVIEWS
- Characterizing flexible and intrinsically unstructured biological macromolecules by SAS using the Porod-Debye law
- (2011) Robert P. Rambo et al. BIOPOLYMERS
- Shape and Biomechanical Characteristics of Human Red Blood Cells in Health and Disease
- (2011) Monica Diez-Silva et al. MRS BULLETIN
- Cryo-EM Model of the Bullet-Shaped Vesicular Stomatitis Virus
- (2010) P. Ge et al. SCIENCE
- PACKMOL: A package for building initial configurations for molecular dynamics simulations
- (2009) L. Martínez et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- UV Resonance Raman Determination of Molecular Mechanism of Poly(N-isopropylacrylamide) Volume Phase Transition
- (2009) Zeeshan Ahmed et al. JOURNAL OF PHYSICAL CHEMISTRY B
- pH and salt responsive poly(N,N-dimethylaminoethyl methacrylate) cylindrical brushes and their quaternized derivatives
- (2008) Youyong Xu et al. POLYMER
Publish scientific posters with Peeref
Peeref publishes scientific posters from all research disciplines. Our Diamond Open Access policy means free access to content and no publication fees for authors.
Learn MoreCreate your own webinar
Interested in hosting your own webinar? Check the schedule and propose your idea to the Peeref Content Team.
Create Now