OpenEye Scientific Software develops large-scale applications and toolkits for drug design and molecular modeling. The software is designed for scientific rigor, speed, scalability and platform independence.
Its primary aim is virtual screening and lead-hopping. Areas of expertise include cheminformatics, conformer generation, docking, shape comparison, electrostatics, crystallography and visualization.
Operating as usual
OpenEye miniCUP 2020
eyesopen.com The OpenEye miniCUP series are single day events that focus on topics of current scientific research, technology and solutions.
Webinar: Orion v2020.2 Update
eyesopen.com The webinar "Orion 2020.2 Update"
OpenEye Applications v2020.0 and OpenEye Toolkits v2020.0 Released
eyesopen.com OpenEye Scientific announces the release of OpenEye Applications v2020.0 and OpenEye Toolkits v2020.0, with several key updates and improved features
In an effort to help in the search to find potential therapeutics for COVID-19, OpenEye has completed multiple large-scale computational studies.
eyesopen.com In an effort to help in the search to find potential therapeutics for COVID-19, OpenEye has completed multiple large-scale computational studies.
Webinar: Orion 2020.1 Update
eyesopen.com The webinar "Orion 2020.1 Update" will be presented 6-4-2020 at 1pm EDT
Optibrium Adopts Cheminformatics Toolkits From OpenEye Scientific
eyesopen.com High performance libraries provide strong foundation for new developments to StarDrop drug discovery software.
Webinar - Permeability at Scale: The Weighted Ensemble Method in Orion
eyesopen.com The webinar "Permeability at Scale: The Weighted Ensemble Method in Orion" will be presented 5-5-2020 at 1pm ET
OpenEye Scientific Software's cover photo
OpenEye Deploys the Orion Molecular Design Platform to Find COVID-19 Therapeutics; Makes Results Freely Available.
eyesopen.com The current pandemic of COVID-19 disease is caused by a coronavirus infection of a virus designated as SARS-CoV-2.
Webinar: Using CSP to Help Solve Powder Diffraction Structures
eyesopen.com The webinar "Using CSP to Help Solve Powder Diffraction Structures" will be presented 4-10-2020 at 1pm ET
Relative Binding Free Energy with Non-Equilibrium Switching in Orion
eyesopen.com A variety of free energy simulation methods, such as FEP, TI, and λ dynamics, make use of atomistic MD or Monte Carlo simulations to determine the relative binding free energy (RBFE) between two ligands along an alchemical path.
Schedule Update For CUP XIX - Santa Fe | March 5-7, 2019 https://hubs.ly/H0gmS0h0
eyesopen.com This years CUP event will be held March 5-7, 2019 once again at the Inn and Spa at Loretto in Santa Fe, NM. Please check back closer to the event date for more details and registration information. We look forward to seeing you next March!
Drug Discovery Chemistry 2019
hubs.ly OpenEye will be exhibiting and presenting at Drug Discovery Chemistry 2019 in San Diego.
OpenEye Applications v2018.Nov Released
hubs.ly OpenEye is pleased to announce the release of OpenEye Applications v2018.Nov. These applications include the usual support for Linux, macOS, and Windows.
Webinar - Validating Water Placement: Experimental and Computational Methods
us2.campaign-archive2.com There are a number of computational methods available for assessing the structure and energetics of water as it solvates macromolecular structures. While there has been a large amount of interest in the results generated by computational methods ranging from semi-continuum (SZMAP) to explicit method...
Webinar - Conformational Sampling of Macrocycles: The State of the Art
us2.campaign-archive1.com Macrocyclic molecules have been shown to be orally bioavailable ligands for targets such as GPCRs and protein-protein interfaces. Greater exploitation of macrocycles in drug discovery has been stymied by a lack of computational methods to investigate their properties, including their conformational…
ROCS v3.2.2 Released
AFITT v2.4.1 Released
OpenEye Toolkits v2017.Feb released
CUP XVII Schedule
us2.campaign-archive2.com CUP 17, March 6th-8th in Santa Fe, is now just a little over five weeks away and I'm pleased to be able to append a great schedule. We have the usual interesting mix of academic, industrial, government and OpenEye speakers, as well as various evening events, including our poster evening on Tuesday n...
CUP XVII Announcement
us2.campaign-archive2.com The 17th edition of our Customers, Users and Programmers meeting (CUP) will occur on March 6th-8th, 2017 in Santa Fe, NM at the Inn and Spa at Loretto. Monday will see talks on the status of our cloud platform, Orion, including presentations by early adopters, followed by updates on our science and…
Webinar - Conformational Sampling of Macrocycles: Recent Progress
us2.campaign-archive2.com Macrocyclic molecules have been shown to be orally bioavailable ligands for targets such as GPCRs and protein-protein interfaces. Greater exploitation of macrocycles in drug discovery has been stymied by a lack of computational methods to investigate their properties, including their conformational…
Webinar - OpenEye Toolkits and Python: Now and in the Future
us2.campaign-archive1.com OpenEye has been providing Python toolkits to our customers for over 10 years. We are constantly working to expand their breadth and ease of use, and to take advantage of the latest advances in Python. This webinar will cover several topics related to changes that we have made in recent releases tha...
OpenEye Toolkits v2016.Oct released
Webinar - BROOD and Gameplan: Using solvent mapping to drive optimization of a fragment based campaign for Epoxide Hydrolase
us2.campaign-archive2.com Solvent mapping results have shown potential for providing interesting and novel insights into protein binding sites and how ligands interact with the protein and solvent. However, examples of using these methods to drive lead optimization, particularly starting from fragments, are rare. In this we...
QUACPAC v1.7.0 Released
OpenEye Scientific Software
OpenEye Scientific Software
Summer 2014 Quarterly Newsletter
New from Tony Slater
http://dx.doi.org/10.1007/s10822-014-9764-9 Accurate and well-curated experimental pKa data of organic acids and bases in both aqueous and non-aqueous media are invaluable in many areas of chemical research, including pharmaceutical, agrochemical, specialty chemical and property prediction research. In pharmaceutical research, pKa data are r
OpenEye Toolkits v2014.Jun released
Webinar - OEDocking 3.1: Pose Prediction in One Awesome Package
us2.campaign-archive2.com A recording of this webinar will be posted at a later date. Please registerfor the event if you would like to receive notification when the recording becomes available.
OEDepict isn't just for molecules. Try recreating your favorite Anime characters. http://docs.eyesopen.com/toolkits/cookbook/python/fun.html#oeanime
Need to display 2D depictions in a webpage? Check out our latest additions to the OpenEye Python Cookbook to learn how to example to create a simple depiction web service.
To further the exploration of BioPhotonics, & underlying field dynamics that serve as blueprint of who & how we are, & the hidden world of all around us
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