Molecular modelling
Discovering chemical properties by physical simulations
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We include updates on CPK coloring, Folding@home, Coarse-grained modeling, Rosetta@home, AutoDock, Ball-and-stick model, Katchalski-Katzir algorithm, Protein–ligand docking, Accessible surface area, Space-filling model, Statistical potential, Implicit solvation, Scoring functions for docking, Searching the conformational space for docking, Gaussian network model, Biskit ... and more.
| 2020 |
Sergey Piletsky
Filed patent for Methods and Kits for determining binding sites, with co-inventors Elena Piletska, Francesco Canfarotta, and Don Jones.
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| April 12 2020 |
Folding@home
Folding@home becomes the world's first exaflop computing system, reaching a peak performance of 2.43 exaflops.
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| March 2020 |
Folding@home
Folding@home launched a program to assist researchers worldwide in studying the coronavirus pandemic, initially focusing on simulating potentially druggable protein targets from SARS-CoV-2 and SARS-CoV viruses.
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| March 2020 |
Folding@home
Project achieves a computing speed of approximately 1.22 exaflops, driven by heightened interest during the COVID-19 pandemic.
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| March 25 2020 |
Folding@home
Folding@home reached 768 petaFLOPS, or 1.5 x86 exaFLOPS, becoming the first exaFLOP computing system.
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| March 20 2020 |
Folding@home
Folding@home announced via Twitter that it was running with over 470 native petaFLOPS, equivalent to 958 x86 petaFLOPS, due to increased participation during the coronavirus pandemic.
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| 2019 |
Sergey Piletsky
Filed patent for Electrochemical Sensor, with co-inventors Omar Sheej Ahamad and Alvaro Garcia Cruz.
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| June 2019 |
Folding@home
The Folding@home web client was permanently shut down due to the phasing out of NaCl and internal changes at the organization.
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| February 16 2018 |
Folding@home
The Folding@home Android client, developed in cooperation with Sony, was removed from Google Play. The project simultaneously announced plans to develop an open-source alternative in the future.
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| May 11 2016 |
Folding@home
Folding@home announced it was moving towards reaching the 100 x86 petaFLOPS mark.
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| July 2015 |
Folding@home
Folding@home released its first Android mobile client on Google Play, compatible with devices running Android 4.4 KitKat or newer versions.
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| 2014 |
Folding@home
Folding@home released a client for Google Chrome and Chromium web browsers, enabling users to run distributed computing tasks directly in their web browsers using Google's Native Client (NaCl) technology.
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| 2014 |
Sergey Piletsky
Filed patent for Photoreactor and Process for Preparing MIP Nanoparticles, with co-inventors Olena Piletska, Antonio Guerreiro, Michael Whitcombe, and Alessandro Poma.
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| September 9 2013 |
Folding@home
Folding@home reached nine native petaFLOPS, with 17.9 x86 petaFLOPS.
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| June 21 2013 |
Folding@home
Folding@home reached eight native petaFLOPS.
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| May 2013 |
Folding@home
Folding@home attained over seven native petaFLOPS, with the equivalent of 14.87 x86 petaFLOPS.
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| 2012 |
TeraChem
Publications on nanotechnology, fullerenes, and molecular dynamics simulations, expanding the computational chemistry research scope.
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| 2011 |
Folding@home
Folding@home began simulations of the dynamics of the HIV enzyme RNase H, with the goal of designing drugs to deactivate this key viral component.
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| 2011 |
TeraChem
Multiple publications exploring advanced computational chemistry techniques, including charge transfer in solvated proteins, excited-state electronic structure, and electron repulsion integral evaluation on GPUs.
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| November 10 2011 |
Folding@home
Folding@home's performance exceeded six native petaFLOPS, with the equivalent of nearly eight x86 petaFLOPS.
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| 2010 |
Sergey Piletsky
Filed patent for Rationally Designed Selective Binding Polymers, with co-inventors Olena Piletska, Khalku Karim, Coulton H. Legge, and Sreenath Subrahmanyam.
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This contents of the box above is based on material from the Wikipedia articles TeraChem, Folding@home & Sergey Piletsky, which are released under the Creative Commons Attribution-ShareAlike 4.0 International License.