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OpenEye Blog

Hear directly from our CEO on his blog - Ant's Rants. Check out our latest documentation. Learn more about our cheminformatics and molecular modeling software. August 12, 2015. Using Apache Maven with OpenEye. April 23, 2015. Https:/ github.com/oess/HelloMaven, while reading this guide. Grapheme: Advancing Protein-Ligand Visualization. February 19, 2015. Posted in application science. Our documentation has moved. March 19, 2014. February 12, 2014. Ant’s Rants RSS OpenEye Blog RSS. February 28, 2011.

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OpenEye Blog | blog.eyesopen.com Reviews
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Hear directly from our CEO on his blog - Ant's Rants. Check out our latest documentation. Learn more about our cheminformatics and molecular modeling software. August 12, 2015. Using Apache Maven with OpenEye. April 23, 2015. Https:/ github.com/oess/HelloMaven, while reading this guide. Grapheme: Advancing Protein-Ligand Visualization. February 19, 2015. Posted in application science. Our documentation has moved. March 19, 2014. February 12, 2014. Ant’s Rants RSS OpenEye Blog RSS. February 28, 2011.
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OpenEye Blog | blog.eyesopen.com Reviews

https://blog.eyesopen.com

Hear directly from our CEO on his blog - Ant's Rants. Check out our latest documentation. Learn more about our cheminformatics and molecular modeling software. August 12, 2015. Using Apache Maven with OpenEye. April 23, 2015. Https:/ github.com/oess/HelloMaven, while reading this guide. Grapheme: Advancing Protein-Ligand Visualization. February 19, 2015. Posted in application science. Our documentation has moved. March 19, 2014. February 12, 2014. Ant’s Rants RSS OpenEye Blog RSS. February 28, 2011.

INTERNAL PAGES

blog.eyesopen.com blog.eyesopen.com
1

OpenEye Blog | Category Archives: development

http://blog.eyesopen.com/category/development

Using Apache Maven with OpenEye. April 23, 2015. Maven is a tool that manages Java projects. In addition to other features, it enforces requirements, manages dependencies, and defines artifact creation. This guide explains how to use Maven with OpenEye jars. To get familiar with Maven, please read the 5 Minute Guide. And the Getting Started Guide. The rest of this article assumes that Java and Maven are installed and working. It will be helpful to follow the sample HelloMaven project, available at. Http:...

2

Ant's Rants

http://blog.eyesopen.com/ant

When the recent Nobel Prize for Chemistry was announced, going to Karplus, Levitt and Warshel I assumed it must have been for Services to Molecular Dynamics . As such, I joined the debate on Derek Lowe’s In The Pipeline on whether the field had earned such recognition: It turned out, of course, that the Swedes had QM/MM in Read More ». The subject will be the use of statistics in molecular modeling. Not molecular modeling. The statistics of molecular modeling. Not Read More ». I’ve been thinking a lot la...

3

A Different Conference – Ant's Rants

http://blog.eyesopen.com/ant/2013/03/05/a-different-conference

March 5, 2013. As many of you know, I’m organizing the 2013 CADD Gordon conference (July 21st to 25th, Mount Snow, Vermont). A Gordon conference is rare opportunity to actually confer , and there’s a lot to talk about! So you mean a conference on modeling with some statistics. Er, no. You do realize this is the CADD Gordon meeting, not the Statistics Gordon conference, right? Hal Varian, the chief economist at Google, said that the sexy job of the next decade will be that of statistician. When people...

4

CD and MD – Ant's Rants

http://blog.eyesopen.com/ant/2013/11/26/cd-and-md

November 26, 2013. When the recent Nobel Prize for Chemistry was announced, going to. Karplus, Levitt and Warshel. I assumed it must have been for Services to Molecular Dynamics . As such, I joined the debate on Derek Lowe’s In The Pipeline. On whether the field had earned such recognition:. It turned out, of course, that the Swedes had QM/MM in mind, not MD, but by the time I, and others, realized this positions were staked out! CEO and Founder of OpenEye Scientific Software, Inc.

5

On the Passing of Andrew Grant – Ant's Rants

http://blog.eyesopen.com/ant/2013/01/23/on-the-passing-of-andrew-grant

On the Passing of Andrew Grant. January 23, 2013. I first knew Andy when I was a post-doc at Columbia with Barry Honig and he was a post-doc with Harold Scheraga, way back in 1991. In those days, to get GRASP or DelPhi you downloaded an encrypted file and then asked me for the password. As the download idea was mine (before that we had to send out tapes! A keen fan of punk, he was incredulous and wrote to ask me if I knew it was a song by The Damned! He took music that seriously. Character that is, if a ...

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Cheminformatics and Molecular Modeling | OpenEye Scientific Software

http://www.eyesopen.com/ja

Confidence Levels for iPhone. Subscribe to News and Announcements. SZYBKI v1.9.0 Released. OpenEye Toolkits v2016.Jun released. OpenEye Toolkits v2016.Feb released. OEDocking v3.2 released. OpenEye Toolkits v2015.October released. Raquo; News Archive. June 5-6, 2014. June 4-5, 2015. May 19-20, 2016. Raquo; Event Archive. On the Passing of Andrew Grant. Curing Pharma: (1) Avoiding Hype-based Science. What Is Really Killing Pharma. The Rant Goes On. Ant’s Rant The First of Many.

eyesopen.com eyesopen.com

Grapheme™ TK | OpenEye Scientific Software

http://www.eyesopen.com/grapheme-tk

Confidence Levels for iPhone. Parallelization - PVM and MPI. 2D structure depiction of molecules is the "natural language" of chemists, since this representation instantly conveys many important molecular properties. Grapheme TK provides several representation schemes that allow visualization of complex molecular interactions and properties in a clear and coherent 2D format that is the most natural to chemists. Wide range of built-in atom and bond glyphs for annotation. Example of the 2w3a complex (a) in...

eyesopen.com eyesopen.com

GraphSim TK | OpenEye Scientific Software

http://www.eyesopen.com/graphsim-tk

Confidence Levels for iPhone. Parallelization - PVM and MPI. Measuring molecular similarity and diversity plays an important role in various steps of the drug design cycle. Calculating molecule similarity is extensively used in applications such as virtual screening, property prediction, synthesis design and chemical database clustering. Provides five different fingerprint types to perform 2D molecular similarity measurements:. The novelty of the GraphSim TK. Fingerprint generation is that it gives full ...

eyesopen.com eyesopen.com

QUACPAC | OpenEye Scientific Software

http://www.eyesopen.com/quacpac

Confidence Levels for iPhone. Parallelization - PVM and MPI. Tautomer / Protomer Enumeration and Charge Assignment. Offers everything necessary to do charges well. As the chemistry of molecular interactions is a matter of shape and electrostatics, accurate or at least consistent charge representation. Is critical in drug design. However even the best charge models are of limited value if protonation states are wrong. QUACPAC provides pKa and tautomer enumeration. Protonation state enumeration for pH 2-14.

eyesopen.com eyesopen.com

OEDocking | OpenEye Scientific Software

http://www.eyesopen.com/oedocking

Confidence Levels for iPhone. Parallelization - PVM and MPI. Is a suite of well-validated molecular docking tools and workflows, each specifically designed to address its own unique aspect of protein-ligand interaction. Specifically, it features POSIT. For informed pose prediction as well as FRED. As complementary tools for virtual screening. Most of the functionality available in OEDocking is also available in toolkit form via the OEDocking TK. Ligand guided pose prediction. Choosing the best result!

eyesopen.com eyesopen.com

ROCS | OpenEye Scientific Software

http://www.eyesopen.com/rocs

Confidence Levels for iPhone. Parallelization - PVM and MPI. Shape Similarity for Virtual Screening and Lead Hopping. Is a powerful virtual screening. ROCS is a fast shape comparison application, based on the idea that molecules have similar shape if their volumes overlay well and any volume mismatch is a measure of dissimilarity. It uses a smooth Gaussian function to represent the molecular volume [5], so it is possible to routinely minimize to the best global match. Is the innovative graphical user int...

eyesopen.com eyesopen.com

Products | OpenEye Scientific Software

http://www.eyesopen.com/products

Confidence Levels for iPhone. Parallelization - PVM and MPI. OpenEye's portfolio of molecular modeling applications is presented as a workflow involving ligand- and structure-based design strategies. FILTER. Prepare the input compounds by removal of undesirables and application of a variety of charge models. Next, OMEGA. Generates high quality 3D conformer ensembles. ROCS. Searches compound libraries for 3D shape (and chemistry) similar molecules. EON. May then be used to refine the ROCS.

eyesopen.com eyesopen.com

VIDA | OpenEye Scientific Software

http://www.eyesopen.com/vida

Confidence Levels for iPhone. Parallelization - PVM and MPI. Visualizing docking results with VIDA's Grapheme. View of a ligand showing molecular surface and electrostatic potential field. Visualization and Communication of Modeling Results. Advanced 3D graphics for high quality molecular visualizations. Robust handling and easy browsing of large molecular data sets. Chemically aware spreadsheet featuring real-time interaction with 1D (SMILES), 2D, and 3D displays. Supported on Linux, Windows. OpenEye To...

eyesopen.com eyesopen.com

SZYBKI | OpenEye Scientific Software

http://www.eyesopen.com/szybki

Confidence Levels for iPhone. Parallelization - PVM and MPI. 1] optimizes molecular structures with the Merck Molecular Force Field. Either with or without solvent effect, to yield quality 3D molecular structures for use as input to other programs. Since the chemistry of molecular interactions is a matter of shape and electrostatics, it is impossible to consider either without reasonable 3D molecular structures. Making it useful in conjunction with docking programs. Optimization of a ligand with SZYBKI.

eyesopen.com eyesopen.com

pKa Prospector | OpenEye Scientific Software

http://www.eyesopen.com/pka-prospector

Confidence Levels for iPhone. Parallelization - PVM and MPI. Providing protonation insights for novel molecules. Search by molecular properties. A well-curated database of high-quality experimental pKa measurements. Complete experimental data and reference for each measurement. Search using rooted maximum common substructure (MCS) with "electronically-aware" scoring. Advanced filters and alternate search methods. Search by fingerprint similarity. Auto-identification of ionizable groups. This database can...

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Eyes on VIs

A perspective on VI Development from a member of LabVIEW R&D. By Christina in LabVIEW. It feels strange to be saying this in May, but it’s almost time for NIWeek 2017. For those of you attending NIWeek, please stop by the UX (User Experience) feedback area in the Expo. My teammates and I will be gathering feedback on a variety of topics. Come prepared to tell us what you would change about LabVIEW if you had a magic wand that could grant any wish! LabVIEW 2016 and NI Technology Preview. If you participat...

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Eyes Open Photography

The Photography of Bob Rose. June 13th, 2008. Took these a while ago, never got around to working on them. This live TV show is very popular, like American Idol but with Dangdut singing. Dangdut is a popular style of music with much Arabic/Indian influences. Worst costumes ever! Malacca Strait Jazz Festival- 7/6/08. June 11th, 2008. I remember leaving quite a harsh review on my website the last time I saw Tompi, I was wondering maybe he wasn’t THAT bad? Malacca Strait Jazz Festival- 6/6/08. The last time...

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OpenEye Blog

Hear directly from our CEO on his blog - Ant's Rants. Check out our latest documentation. Learn more about our cheminformatics and molecular modeling software. August 12, 2015. Using Apache Maven with OpenEye. April 23, 2015. Https:/ github.com/oess/HelloMaven, while reading this guide. Grapheme: Advancing Protein-Ligand Visualization. February 19, 2015. Posted in application science. Our documentation has moved. March 19, 2014. February 12, 2014. Ant’s Rants RSS OpenEye Blog RSS. February 28, 2011.

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Eyesore Merch | We are a music & entertainment clothing company who love to talk about music & entertainment. Visit our store at: www.eyesoremerch.com for the best T-Shirts on the web!

We are a music and entertainment clothing company who love to talk about music and entertainment. Visit our store at: www.eyesoremerch.com for the best T-Shirts on the web! Skip to primary content. Skip to secondary content. Gavin A Go Go’s Vault Of Horror: The Invisible Man. July 17, 2015. Installment number 6 in our series of horror-thriller movie write-ups. Written by Gavin A Go Go. This is The Invisible Man. Released in 1933. He throws his nose at them, then removes the glasses and takes off his band...

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eyesrobe | 自分のための iPhone App を作れるまでに。 2つ作りました。App Storeに公開中

自分のための iPhone App を作れるまでに。 アプリつくった よ Moneyha をよろしく. 無事に App Store に公開されてほっとしました。 89 · 8月 4, 2010 · iPhone. Middot; (No comments). アプリつくった よ Memoha をよろしく. 無事に App Store に公開されてめっちゃ嬉しい。 82 · 3月 8, 2010 · iPhone. Middot; 1 comment. 79 · 3月 8, 2010 · 未分類. Middot; (No comments). Http:/ www.16shot.jp/blog/archives/2009/09/post 1345.html. 昨日 アニマルライフ 動物ふれあい生活 買いました。 できることは 餌をあげる なでる 呼び寄せる 掃除 だけなので気楽に育てられそう。 77 · 10月 7, 2009 · 未分類. Middot; (No comments). Ultimate Google Analytics を導入してみた. Middot; (No comments).

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