H-bond (hydrogen bond) network assessment and binding site search are introduced to SeeSAR to further enhance your drug discovery process.
H-bond networks and protein ensembles – SeeSAR 10.2 update, H-bond (hydrogen bond) network assessment and binding site search are introduced to SeeSAR. Again, we took that extra step and sprinkled a little magic here and there. And the work was worth the hassle: the new SeeSAR version includes addtional features and improvements to further enhance your drug discovery process. The new H-bond network assessment provides you with even more information on your target-ligand complexes. The calculations of inter- and intramolecular H-bonds are decoupled from the HYDE assessment, enabling detailed insights into the binding of your molecule. Note that this mandates a recalculation of previously obtained HYDE scores. The second big feature is the seamless integration of a ProteinsPlus web service from Professor Rarey’s lab at the ZBH Center for Bioinformatics (Hamburg, Germany). This new technology — called SIENA — quickly combs through all the available PDB structures to search for binding pockets similar to the one at hand. The special advantage of this technology: The comparison is not only limited to the sequence of the target alone, but additionally involves the overall topology of the binding site — which can lead to unexpected, yet valuable results. You get these comfortably aligned and ready for visual inspection now in SeeSAR. Der Beitrag H-bond networks and protein ensembles – SeeSAR 10.2 update erschien zuerst auf BioSolveIT. , November 09, 2020 at 04:22PM #seesar #flexx #biosolveit #cadd
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Bengaluru: November 09, 2020 at 05:21PM

Our collaboration partner and inventor of the "REAL concept", Enamine, has expanded the REAL Space™ with over 1 billion make-on-demand molecules. As of
REAL Space reaches 15 billion molecules, Our collaboration partner and inventor of the “REAL concept”, Enamine, has expanded the REAL Space™ with over 1 billion make-on-demand molecules. As of today, Enamine now offers a total of 1.5 x 1010 compounds for purchase. Only BioSolveIT tools can be used to explore this unique Chemical Space created based on reliable reactions and their in-stock building blocks to find exciting molecules that can be delivered to your table within weeks with an unmet success rate of over 80%. Der Beitrag REAL Space reaches 15 billion molecules erschien zuerst auf BioSolveIT. , November 04, 2020 at 04:32PM #seesar #flexx #biosolveit #cadd
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Bengaluru: November 09, 2020 at 05:20PM

Overwrite Values Stored in Batch Fields The ability to overwrite values stored in Batch fields
CDD Vault Update (October 2020 [#2]): Overwrite Batch fields and Improved Second Factor Authentication Overwrite Values Stored in Batch Fields The ability to overwrite values stored in Batch fields in bulk, via the Import Data wizard, is now available as a Vault Administrator setting. To allow Batch field values to be overwritten, the Vault Admin can use the Settings > Vault > Batch Fields page to set an “Overwritable”… The post CDD Vault Update (October 2020 [#2]): Overwrite Batch fields and Improved Second Factor Authentication appeared first on Collaborative Drug Discovery Inc. (CDD). by Abe Wang, CDD
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Bengaluru: October 31, 2020 at 08:27AM

leadership CDD Attending 16th German Conference on Cheminformatics and SAMPL Satellite Workshop November 2-4, 2020
CDD Attending German Conference on Cheminformatics and SAMPL Satellite Workshop, November 2-4, 2020 CDD Attending German Conference on Cheminformatics and SAMPL Satellite Workshop, November 2-4, 2020 CDD Attending 16th German Conference on Cheminformatics and SAMPL Satellite Workshop November 2-4, 2020 • Virtual The GCC reflects and highlights the important role of cheminformatics, which connects the modern information and data-driven world with computational modelling of molecular systems. CDD is… The post CDD Attending German Conference on Cheminformatics and SAMPL Satellite Workshop, November 2-4, 2020 appeared first on Collaborative Drug Discovery Inc. (CDD). by Abe Wang, CDD
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Bengaluru: October 30, 2020 at 10:27PM

leadership CDD Presenting at RSC Formulation Science & Technology November 3, 2020 • 10:00 -
CDD Presenting at RSC Formulation Science & Technology, November 3, 2020 CDD Presenting at RSC Formulation Science & Technology, November 3, 2020 CDD Presenting at RSC Formulation Science & Technology November 3, 2020 • 10:00 - 17:00 GMT Formulation 4.1 continues the story of bringing digital to all aspect of formulation and looks at how Industry 4.0 is changing the formulation industry. The meeting will showcase… The post CDD Presenting at RSC Formulation Science & Technology, November 3, 2020 appeared first on Collaborative Drug Discovery Inc. (CDD). by Abe Wang, CDD
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Bengaluru: October 29, 2020 at 04:27AM

leadership From Kyprolis to PROTACs — Insights with Amgen's Ray Deshaies December 15, 2020 •
Upcoming Webinar: From Kyprolis to PROTACs — Insights with Amgen’s Ray Deshaies Upcoming Webinar: From Kyprolis to PROTACs — Insights with Amgen’s Ray Deshaies From Kyprolis to PROTACs — Insights with Amgen's Ray Deshaies December 15, 2020 • 9:00AM (PT), 12:00PM (ET), 17:00 (GMT) In 2003, then Caltech Professor Raymond Deshaies co-founded Proteolix to develop a proteasome-inhibiting compound that would later lead to the billion-dollar cancer drug… The post Upcoming Webinar: From Kyprolis to PROTACs — Insights with Amgen’s Ray Deshaies appeared first on Collaborative Drug Discovery Inc. (CDD). by Abe Wang, CDD
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Bengaluru: October 28, 2020 at 09:27PM

The $1,496,415 supplemental grant from the Bill & Melinda Gates Foundation provides CDD Vault
Collaborative Drug Discovery Announces a Grant Supplement Building on a Decade Long Commitment to Global Tuberculosis Drug Discovery Scientists Collaborative Drug Discovery Announces a Grant Supplement Building on a Decade Long Commitment to Global Tuberculosis Drug Discovery Scientists The $1,496,415 supplemental grant from the Bill & Melinda Gates Foundation provides CDD Vault for secure data sharing and collaborative analytics services and support across the Tuberculosis (TB) Drug Accelerator (TBDA). Burlingame, California — October 23,… The post Collaborative Drug Discovery Announces a Grant Supplement Building on a Decade Long Commitment to Global Tuberculosis Drug Discovery Scientists appeared first on Collaborative Drug Discovery Inc. (CDD). by Abe Wang, CDD
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Bengaluru: October 23, 2020 at 10:27PM