Resources Archive - Page 20 of 54

Spectrus Processor JS: The Future of NMR Software is Here

Sherry Myles Oct 5, 2021

Browser-based NMR data processing is now available with the all-new Spectrus Processor JS! Now, you can seamlessly process 1D and 2D NMR data from anywhere. Watch this webinar to see this industry-first software in action.

Avoiding the Interaction between S-protein of SARS-CoV2 and ACE2, to Develop an Adjuvant Antiviral by Molecular Docking

ACDLabs Oct 1, 2021

In this study the crystallographic structure of the interaction between SARSCoV-2 (RBD) and ACE2 was used to determine compounds that could reduce the interaction between SARS-CoV-2 and ACE2; with these results compounds will be proposed to develop a new drug against COVID-19. PhysChem Suite was used to predict chemical properties of the compounds including toxicity,...

Improving the Inhibition of TMPRSS2 by Molecular Docking, to Decrease the Process Infection of SARS-CoV2

ACDLabs Oct 1, 2021

This study proposes to carry out a molecular docking to select compounds capable of interacting in the catalytic site of TMPRSS2, to decrease the interaction between TMPRSS2 and S-protein, and generating a reduction in the entry of the virus into cells, to propose compounds to develop a new drug against SARS-CoV-2. PhysChem Suite was used...

The Golden Age of Computer Assisted Structure Elucidation (CASE)

ACDLabs Sep 27, 2021

This article discusses the history of computer-assisted structure elucidation (CASE) and how it has continuously improved over the past 50 years.

ACD/Labs Announces Software Updates to Help R&D Organizations Meet the Demands of the Digitalized Lab

ACDLabs Sep 21, 2021

v2021 of ACD/Labs’ Spectrus and Percepta platform applications provide updates and new software features for its desktop and enterprise products Toronto, CANADA (September 21, 2021)—ACD/Labs, an informatics company that develops and commercializes software in support of R&D, today announced its annual updates across its Spectrus and Percepta platform applications. “The increasing degree of proximity-limited scientific research...

Consolidating and Managing Data for Drug Development within a Pharmaceutical Laboratory: Comparing the Mapping and Reporting Tools from Software Applications

ACDLabs Sep 14, 2021

This article compares the use of Luminata and Microsoft Excel for consolidating and managing all the analytical data in pharmaceutical drug development.

A Strategy for the Best Candidate Selection from an Ensemble of Plausible Structures

Sherry Myles Aug 24, 2021

Here the authors discuss how DP4 probability metrics can be very valuable in discriminating structural candidates in ASV, UBV, and CAS workflows even when used with empirical NMR shift predictions.

In Silico Multifactorial Modeling for Streamlined Development and Optimization of Two-Dimensional Liquid Chromatography

ACDLabs Aug 24, 2021

Continued adoption of two-dimensional liquid chromatography (2D-LC) in industrial laboratories will depend on the development of approaches to make method development for 2D-LC more systematic, less tedious, and less reliant on user expertise. In this paper, we build on previous efforts in these directions by describing the use of multifactorial modeling software that can help...

The Future of Chemistry Education

ACDLabs Aug 19, 2021

The pharmaceutical and chemical industries have changed a lot in recent decades – has chemistry education kept up? What skills are industry looking for now? Are universities and high schools meeting those needs? What do students need to do to be competitive in the chemistry workforce of tomorrow? Join us in Episode 4 for insightful...

Using software to improve data management and output in pharma development

ACDLabs Jul 5, 2021

In this article Jordan Stobaugh from AbbVie talks about their reasons for rolling out Luminata and their continued work to improve their efficiency in process development with the help of informatics tools.

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