CCDC GOLD Suite 4.12 - CADD Molecular Docking software

The GOLD Suite consists of the following packages: Hermes for 3D visualisation pre- and post-docking, interactive docking setup.Hermes is a 3D visualiser with particular emphasis on functionality for the analysis of protein-ligand interactions.GOLD for protein-ligand docking:GOLD is a program for calculating the docking modes of small molecules in protein binding sites and is provided as part of the GOLD Suite, a package of programs for structure visualisation and manipulation (Hermes), for protein-ligand docking (GOLD) and for post-processing (GoldMine) and visualisation of docking results. Hermes acts as a hub for many of CCDCs products, for more information please refer to the Hermes product page.GoldMine for post-processing of docking results:GoldMine is a tool for post-processing of GOLD docking results.
GoldMine can be used to combine and analyse several docking runs, e.g. docking runs carried out against different protein models may be combined within a GoldMine database and analysed for selectivity and specificity.Docking runs carried out using one protein model but scored using different scoring functions may also be combined and evaluated within a GoldMine database. GoldMine is provided as part of the GOLD Suite, a package of programs for structure visualisation and manipulation (Hermes), for protein-ligand docking (GOLD) and for post- processing (GoldMine) and visualisation of docking results.

Pentacle. Advanced Alignment-Independent 3D QSAR - Software

Pentacle is an advanced software tool for obtaining alignment-independent 3D quantitative structure-activity relationships. The program starts from a set of structures, computing highly relevant 3D maps of interaction energies between the molecule and chemical probes (GRID based Molecular Interaction Fields, or MIFs). Pentacle automatically encodes these maps into GRID Independent Descriptors (GRIND and GRIND2 descriptors), which are independent of the alignment of the series, thus bypassing one of the most time-consuming aspects of traditional 3D QSAR.Starting from 3D structures of an active series of compounds, Pentacle is able to build a model within a couple of minutes, and guide the user step-by-step through extracting the most useful information

Key Features :

1. Automatically calculate GRID-based GRIND & GRIND2 descriptors
2. Create and explore models interactively using advanced multivariate analyses, linked to the 3D Molecular Interaction Fields of the series
3. Automatically align structures to aid interpretation using the new CLACC algorithm

Pentacle includes new MIF sampling and encoding algorithms improving on those previously implemented for the Almond GRIND 3D QSAR program. The example shows several TACE inhibitors and the Pentacle 3D QSAR model. One of the important contributions to the activity of the series is a polar interaction (illustrated by the red vectors between the yellow hydrophobic field nodes to the blue hydrogen bond donor field nodes) with Thr347. Pentacle is able to import the compounds, calculate the descriptors, build a model, and help you interpret the model in just couple of minutes.
 

Epic Browser--First Web Browser from India for India

If you are using Internet Explorer or Firefox or Chrome or Opera or Safari for browsing give it a Desi change with Epic – A New Browser from India. The Epic browser is developed by Bangalore based Hidden Reflex and is based on Mozilla and is available for free. What is very important is the news of Epic could give Moksha or liberation to millions of Indian netizens who are stuck with Internet Explorer 6.

Epic, which is based on Mozilla Firefox, cleverly taps into several already available services to serve content tailored for Indian users. Among other things, it uses Google Indic Transliteration tool to enable typing in Indian languages like Hindi, Bengali and Tamil. The custom sidebar also offers one-click access to regional and national news including live video streams (served by NDTV), cricket match scores, share market updates and music charts. Epic also provides box file backup (through Gmail), mail (Yahoo and Gmail) and social networking (Facebook, Twitter and Orkut) apps. Additional security is provided through ESET NOD32 and WOT. If you want more you can always install more apps from Epic’s online gallery, which currently houses more than 1,500 applications. Additionally, since Epic is based on Firefox, it also supports standard Firefox extensions.


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Herb Navigator

Herb Navigator
User friendly revolutionary program that will allow you quickly and easily improve the accuracy of your clinical observations, diag- nosis and herbal prescriptions.

With a few clicks of the mouse, you can quickly and easily see more clearly the possibilities and best use of interconnected formulas, conditions, and actions.
•Over 140 herbs and over 400 specific ailments are referenced
•Search by indication
•Unique search by multiple actions
•The program offers you the ability to add your own data.
•Preparation methods are given for each herb
•Adult dosage ranges for all appropriate preparations are given.

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Peptide Companion - Software

Peptide Companion - Software

Calculates:
•Molecular weights
•Elemental analysis results
•Amino acid composition
•Mass spectral fragmentation
Predicts:
•HPLC behavior of peptides
•Difficult sequences to synthesize
•Conformational parameters of peptides/proteins
•Enzymatic or chemical degradation
•Composition of peptide or nonpeptide library
•Amino acid composition from M.W.
Additional features:
•Finds problems in mass spectra
•Evaluates peptide content in lyophilizate based on elemental analysis
•Translates one letter code to/from three letter code
•Serves as database of hundreds of peptides
•Serves as database of protecting groups and other abbreviations
•Understands peptide language
Requires Windows 3.1, 95, 98, 2000, NT, or a system capable of running Windows programs.

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FieldAlign Ver 2.1.1(Similar to SAR)

FieldAlign™ is a smart molecular alignment tool for modellers and medicinal chemists. Given a 3D template molecule, it can align other molecules entered in 2D to that template rapidly and in a biologically-relevant manner. The template would commonly be an active molecule (or set of molecules) in its bioactive conformation. The template molecule could be obtained from a FieldTemplater™ alignment hypothesis, a ligand extracted from the active site of a protein, docking or pharmacophore studies.

FieldAlign™ is ideal for visual inspection of alignments of actives from different series and identifying shared field features or pharmacophores, providing a qualitative indication of field SAR. FieldAlign is useful at the early stage of library design as small virtual libraries can be aligned to an active template and the chemist can select those scaffolds and monomers which together best match the active field template. FieldAlign can also be used as an aid to lead optimisation: iteratively changing molecules in FieldAlign and observing the alignments and field patterns can provide powerful insights into the direction that your chemistry should go. It is also invaluable for overlaying series of molecules prior to 3D QSAR studies where a good alignment of the molecules is critical for obtaining meaningful models.

FieldAlign™ is available as a Linux or Windows GUI program. A Linux command line version is also available which can be readily customized by expert users.

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FOXIT READER v4.1

Foxit Readeris a multilingual PDF reader. Both the basic and full version readers can be downloaded for free.
Foxit Reader is notable for its short load time and small filesize,and has been compared favorably to Adobe Reader.It is not able to read PDX files (searchable catalogs), which limits its utility for use with document collections,and it does not handle the text ligatures correctly during text search and copy. Its MS Windows version allows annotating and saving unfinished PDF forms,import/export, converting to text,highlighting and drawing.

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Merriam-Webster's Medical Dictionary for iPhone

This one should be of particular interest to the medical students and practitioners out there. Happened to notice it in the ‘What’s New’ section of the App Store this morning. And, well, it looks like quite a comprehensive and useful resource.
The Merriam-Webster’s Medical Dictionary is a huge guide to ‘the essential language of medicine’. The application features over 35,000 entries, with information on both brand name and generic versions of drugs. All entries in the dictionary are hyperlinked for easy navigation and flow between words and entries. Plus, there’s a search history that will display the last 15 words you’ve looked up.
If you’re concerned about using it on-the-go, no worries. You can download and install the entire app right on your iPhone for reference any time. Once it is installed, that’s it. No need to download or access your network to look up entries or info!

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IDR MedCLIK and MedPRACTICE

IDR MedCLIK is a comprehensive and reliable Drug reference software, especially for Indian Medical Practitioners.MedPRACTICE is India's first free-standing prescription writing software package with Integrated Digital Drug Reference. Since then it has been the first to introduce an ever expanding list of practical features to assist doctors to more easily perform their daily 'patient orientated' tasks. No other prescribing package matches its simplicity of use or has as many features.


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Free 70,000 drivers for Windows 2000, XP, Vista Download

Free 70,000 drivers for Windows 2000, XP, Vista Download
This CD includes more than 70000 drivers for products from manufacturers such as Dell, HP, Compaq, IBM, Sony, Panasonic, Toshiba, Intel, 3Com, VIA, nVidia, ATI, SoundMax and many others. Now there is no need to waste time searching for drivers on the Internet. Just record the image (Iso) on the CD, and if necessary insert the disk into the drive and Windows itself detects and installs the driver. Especially be useful to those who often sets the OS on different machines.

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