Application Guides

ZDOCKpro Protein-Protein Docking Information Package

Learn about the importance of protein-protein interactions in the development and treatment of disease. This information package introduces you to the ZDOCKpro protein-protein docking program through a sample workflow on how to predict the conformation of a protein-protein complex using two protein structures, two application notes (one discusses using ZDOCKpro to study the G-protein regulating system and the other discusses the use of homology models in ZDOCKpro docking), and a reference section that lists publications on the development, assessment, and use of ZDOCK and RDOCK, the two main sub-programs within ZDOCKpro.
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Preformulation and Formulation Applications Guide

Competitiveness in drug development means innovative drug products, reduced time to market, and a sustainable product portfolio. Find out how computational methods are helping support these efforts with your free Applications Guide. The Guide describes, with real industry research examples, how computational methods are deployed in leading pharmaceutical companies and research institutes, including AstraZeneca, Merck, Bristol-Myers Squibb, Transform Pharmaceutical, and Taiho Pharmaceutical.
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QSAR Applications Guide

QSAR addresses two fundamentally important questions in commercial research; what structural and electronic properties of a molecule determine its activity and what (structurally) can be altered to improve this activity? It is a vital tool in both the biochemical and chemical discovery process, enabling researchers to predict properties of novel molecules and focus in on molecular structures that give a better outcome in experimentation. This guide showcases a selection of successful QSAR applications, demonstrating that the technique forms a vital component of any researcher's toolkit. QSAR is now an exceptional tool for problem solving, product innovation and cost reduction.
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Generic Drug Development Package

The package includes a publication, webinar recording, and case studies—all aimed at helping you gain the advantage in the race of ANDAs. Access the publication "Polymorph in Generic Drug Product Development” ( Adv. Drug Delivery Rev. , 2004, 56 , 391-395) by Mylan Pharmaceuticals Inc. NOTE : You will only be able to read this publication on screen, but will not be able to print/save. A webinar recording features real-life examples of determining physiochemical property prediction and polymorphism, enhancing your batch-to-batch quality control through material characterization, improving your product performance through excipient selection and screening of chemical incompatibility, and ensuring your processability and manufacturability through material morphology prediction and analysis of the effects of processing parameters. Plus, five case studies demonstrating how Accelrys software tools can be applied in the generic pharmaceutical industry.
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Simple, Efficient Computational Tools to Facilitate Drug Discovery

This application note describes the capture of individual chemical structures from SciFinder® in a file format that is very common in many computational chemistry software packages by Shikha Varma, Ph.D., Accelrys and Christopher A. Lipinski, Ph.D., Pfizer.
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Nanotechnology Applications Guide

From TV screens to sensors and suncreams to thermometers, nanotechnology applications are already part of our daily lifes. The statement 'Accelrys' quantum mechanics, molecular mechanics, and mesoscale simulation software offers an extensive suite of tools to support and drive nanotechnology R&D' is very true, but how do these tools find 'hands-on' application in this exciting field?
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