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Nanosphere Electrostatics Lab
Tools | 22 May 2018 | Contributor(s):: JCS Kadupitiya, Nicholas Brunk, Sohile Ali, Fox, Geoffrey C., Vikram Jadhao
The Nanosphere Electrostatics Lab empowers users to simulate the self-assembly of ions near a spherically shaped nanoparticle, and extract the effective electrostatic properties.
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pc4nanobio: cancer nanotherapy simulator
Tools | 19 Apr 2018 | Contributor(s):: Yafei Wang, Randy Heiland, Paul Macklin
Simulate cancer response to drug-loaded nanoparticles
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The Effective Fragment Potential Method Calculation Tool
Tools | 07 Jun 2017 | Contributor(s):: Lyudmila V. Slipchenko, Pradeep Kumar Gurunathan, Hanjing Xu
LIBEFP facilitates extension of unique electronic structure methodologies designed for accurate simulations in the gas phase to condensed phases via QM/EFP. This tool provides a easy-to-use GUI for input generation and output visualization.
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Ions in Nanoconfinement
Tools | 06 Dec 2017 | Contributor(s):: Kadupitige Kadupitiya, Nasim Anousheh, Suresh Marru, Fox, Geoffrey C., Vikram Jadhao
The Ions in Nanoconfinement app empowers users to simulate ions confined between material surfaces that are nanometers apart, and extract the associated ionic structure.
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Atomistic Polymer Workflow Notebook
Tools | 19 Oct 2017 | Contributor(s):: Benjamin P Haley
Run PolymerModeler and nuSIMM tools to create atomistic polymer systems
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Mechanics of Crystalline Nano Cellulose Nanofilm
Tools | 06 Jul 2017 | Contributor(s):: Joshua Leonardo, Mehdi Shishehbor, Pablo Daniel Zavattieri
Simulation of tensile tests on your own Crystalline Nano Cellulose structures.
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Glass transition temperature notebook
Tools | 22 May 2017 | Contributor(s):: Benjamin P Haley, Lorena Alzate-Vargas
Calculate the glass transition temperature of an atomistic, amorphous system by running MD simulations in a notebook
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DNA Origami Visualization Tools
Tools | 12 Sep 2016 | Contributor(s):: Jessica Nash
Visualize DNA origami designs
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Demo of Loading and Visualizing Proteins from the RCSB Protein Data Bank
Tools | 14 Dec 2016 | Contributor(s):: Martin Hunt
Demo of Loading and Visualizing Proteins from the RCSB Protein Data Bank
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Atomic Resolution Brownian Dynamics
Tools | 09 Nov 2016 | Contributor(s):: Chris Maffeo
GPU-accelerated Brownian dynamics simulation tool for biomolecular and nanotechnological systems
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Coarse Graining of Crystalline Cellulose
Tools | 29 Jul 2016 | Contributor(s):: Kuo Tian, Mehdi Shishehbor, Pablo Daniel Zavattieri
Bio-inspired Crystalline Nano-Cellulose coarse graining toolkit
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ENBIOS-2D Lab
Tools | 18 Jul 2016 | Contributor(s):: Aldi Hoxha, Paolo Scarbolo, Andrea Cossettini, Federico Pittino, Luca Selmi
A tool to simulate Ion Sensitive Field Effect Transistors in two dimensions
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ENBIOS-1D Lab
Tools | 14 Dec 2015 | Contributor(s):: Paolo Scarbolo, Federico Pittino, Matteo , Andrea Cossettini, Luca Selmi
A tool to simulate Electrolyte/Insulator/Semiconductor systems in one dimension
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LegoGen
Tools | 05 Feb 2016 | Contributor(s):: Scott Michael Louis Slone, Chris Maffeo, AbderRahman N Sobh, Aleksei Aksimentiev
Tool workflow for building DNA Brick structures automatically.
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Molecular Dynamics Showcase Builder
Tools | 09 Nov 2015 | Contributor(s):: Michael McLennan, Nicholas K Kisseberth, George A. Howlett, Jim Slopsema, Aleksei Aksimentiev, Chen-Yu Li
Tool to create showcases for the Molecular Dynamics Showcase viewer.
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A computational method for rapid prediction of amyloid beta-fibril structures
Tools | 23 Mar 2015 | Contributor(s):: Hamed Tabatabaei Ghomi, Markus A. Lill
A computational method for rapid prediction of amyloid beta-fibril structures
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Granular Crystals
Tools | 22 Jul 2015 | Contributor(s):: Juan Camilo Lopez, Rohit Kaushal Tripathy, Ilias Bilionis, Marcial Gonzalez
Allows the user to sample properties of granular chains under uncertainty propagation
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Gaussian processes 2D
Tools | 26 Jun 2015 | Contributor(s):: Ilias Bilionis, Yinuo Li, Juan Camilo Lopez
Gaussian Process 2D Sampling
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Gaussian processes 1D
Tools | 10 Jun 2015 | Contributor(s):: Ilias Bilionis, Juan Camilo Lopez, Yinuo Li
Allows the user to sample functions from a Gaussian process.
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Traction Force Microscopy
Tools | 17 Apr 2014 | Contributor(s):: Bara Saadah, AbderRahman N Sobh, Alireza Tofangchi
This is a tool for particle motion tracking with respect to physical forces.