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This special page shows all uploaded files.
Date | Name | Thumbnail | Size | User | Description | Versions |
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15:37, 20 January 2020 | Acs-comp.jpg (file) | 204 KB | Hannahbruce | 1 | ||
10:43, 6 January 2020 | LillyLogo.jpg (file) | 120 KB | Hannahbruce | 1 | ||
15:00, 24 December 2019 | DassaultSystemes.png (file) | 24 KB | Hannahbruce | 1 | ||
05:48, 20 December 2019 | SoseiHeptares.png (file) | 75 KB | Hannahbruce | 1 | ||
17:01, 25 November 2019 | Biovia.jpg (file) | 136 KB | Hannahbruce | 1 | ||
09:17, 16 November 2019 | Alkermes.png (file) | 31 KB | Hannahbruce | 1 | ||
17:15, 5 November 2019 | Pfizer.jpg (file) | 95 KB | Hannahbruce | 2 | ||
09:36, 28 October 2019 | Playmolecule.png (file) | 39 KB | Hannahbruce | 2 | ||
10:07, 16 October 2019 | Biogen.png (file) | 19 KB | Hannahbruce | 1 | ||
16:47, 11 October 2019 | Jcim.jpg (file) | 38 KB | Hannahbruce | 1 | ||
14:08, 8 October 2019 | CCG.png (file) | 49 KB | Hannahbruce | Chemical computing group high-resolution logo | 2 | |
14:47, 11 September 2019 | Novartis.jpg (file) | 445 KB | Hannahbruce | 1 | ||
10:22, 29 May 2018 | Janssen-500px.png (file) | 90 KB | Mjschnie | 1 | ||
17:50, 7 May 2018 | QuantumBio 500px.png (file) | 28 KB | Mjschnie | 1 | ||
16:18, 3 April 2018 | Genetech-500px.jpg (file) | 22 KB | Mjschnie | 1 | ||
14:37, 29 March 2018 | Openeye-logo-large-500px.jpg (file) | 45 KB | Mjschnie | 1 | ||
11:54, 19 February 2018 | AstraZeneca 500px.png (file) | 32 KB | Mjschnie | 1 | ||
10:52, 19 February 2018 | Biki 500px.jpg (file) | 572 KB | Mjschnie | 1 | ||
17:53, 7 February 2018 | Schrodinger 500px.png (file) | 25 KB | Mjschnie | 1 | ||
17:11, 7 February 2018 | Vertex 500px.png (file) | 32 KB | Mjschnie | 1 | ||
17:09, 7 February 2018 | Vertex.png (file) | 32 KB | Mjschnie | 3 | ||
17:02, 7 February 2018 | Entasis Therapeutics 500px.jpg (file) | 60 KB | Mjschnie | 1 | ||
17:01, 7 February 2018 | Cresset Software Logo 500px.jpg (file) | 68 KB | Mjschnie | 2 | ||
16:52, 7 February 2018 | Acellera 500px.png (file) | 21 KB | Mjschnie | Acellera | 1 | |
10:04, 13 September 2017 | SiliconTx.png (file) | 42 KB | Mjschnie | 4 | ||
15:39, 12 September 2017 | Novartis-logo.png (file) | 25 KB | Mjschnie | 2 | ||
04:13, 23 February 2017 | InputFiles ABFE GMX2016.zip (file) | 922 KB | Matteo | 3 | ||
05:50, 20 February 2017 | Cp xvg.sh.zip (file) | 301 bytes | Matteo | simple example script to add to the tutorial "Absolute Free Energy Calculations - Gromacs 2016" | 1 | |
05:43, 20 February 2017 | Results HREX ABFE GMX2016.zip (file) | 113 KB | Matteo | Example alchemical_analysis.py results (sims with HREX) for the tutorial "Absolute Binding Free Energy - Gromacs 2016" | 1 | |
05:39, 20 February 2017 | Results ABFE GMX2016.zip (file) | 209 KB | Matteo | Sample results for the tutorial "Absolute Binding Free Energy - Gromacs 2016" | 1 | |
05:26, 20 February 2017 | Therm cycle.pdf (file) | 1.02 MB | Matteo | png | 2 | |
19:13, 28 September 2016 | Vertex talk 5 15 2016 clean3.pdf (file) | 2.81 MB | David Mobley | Robert Abel partial slides from Vertex workshop | 1 | |
19:21, 8 June 2016 | Poster LaurentiuSpiridon.pdf (file) | 1.42 MB | David Mobley | 1 | ||
19:20, 8 June 2016 | Vertex FreeEnergyWorkshop2016 AV.pdf (file) | 708 KB | David Mobley | 1 | ||
19:19, 8 June 2016 | Vertex-workshop-Baofeng-Zhang-51316.pdf (file) | 12.49 MB | David Mobley | 1 | ||
22:45, 26 May 2016 | 2016 Vertex.pdf (file) | 26.56 MB | David Mobley | Mobley's 2016 Vertex talk | 1 | |
15:11, 20 May 2016 | YANK-tutorial-2016-05-20.pdf (file) | 424 KB | John Chodera | YANK tutorial slides presented at 2016 Markov state models and kinetics in drug discovery workshop at Novartis. | 1 | |
14:16, 20 May 2016 | Sampling Discussion.pdf (file) | 36 KB | Michael Shirts | Summary of the sampling discussion on Tuesday afternoon | 1 | |
13:09, 15 May 2016 | VertexComputationalChemist JobFlyer.pdf (file) | 242 KB | John Chodera | Vertex - Research Scientist I, Computational Chemist/Modeling and Informatics (posted 2016-05-15) | 1 | |
11:50, 15 May 2016 | Merck Serono postdoctoral researcher in computational chemistry and molecular dynamics.pdf (file) | 515 KB | John Chodera | Merck Serono postdoctoral researcher in computational chemistry and molecular dynamics - 2016-05-15 | 1 | |
11:48, 15 May 2016 | Merck Serono postdoctoral researcher for predictive models in drug design.pdf (file) | 517 KB | John Chodera | Merck Serono postdoctoral researcher for predictive models in drug design - 2016-06-15 | 1 | |
19:08, 10 March 2016 | Astex.png (file) | 6 KB | Mjschnie | 1 | ||
19:07, 10 March 2016 | OpenEye.png (file) | 8 KB | Mjschnie | 1 | ||
19:07, 10 March 2016 | Pfizer.png (file) | 19 KB | Mjschnie | 1 | ||
19:01, 10 March 2016 | Laufer.png (file) | 7 KB | Mjschnie | 1 | ||
18:59, 10 March 2016 | Holden.png (file) | 27 KB | Mjschnie | 1 | ||
19:30, 18 December 2014 | 2014 Vertex Mobley.pdf (file) | 10.44 MB | Lnaden | David Mobley's slides. Recovered from before the pre-spam backup restore. | 1 | |
15:42, 16 June 2014 | T4+nphenylglicinonitrile complex.results.doc (file) | 5 KB | Matteo | 2 | ||
13:04, 16 June 2014 | Protein-Ligand Binding Free Energies for the Masses.pdf (file) | 12.45 MB | Daveminh | 1 | ||
10:13, 14 June 2014 | InputFiles T4 lysozyme+nphenylglicinonitrile.tar.gz (file) | 976 KB | Matteo | 2 |