Grid Molecular Discovery Software

Molecular Discovery Pentacle v1.05  Software

Posted by }|{yk at May 30, 2010
Molecular Discovery Pentacle v1.05

Molecular Discovery Pentacle v1.05 | 12.76 Mb

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.

Molecular Discovery Grid v22.0.3c  Software

Posted by y2k07 at May 30, 2010
Molecular Discovery Grid v22.0.3c

Molecular Discovery Grid v22.0.3c | 17.20 Mb

Programme GRID is a computational procedure for determining energetically favourable binding sites on molecules of known structure. It may be used to study individual molecules such as drugs, molecular arrays such as membranes or crystals, and macromolecules such as proteins, nucleic acids, glycoproteins or polysaccharides. Several different molecules can be processed one after the other.

Molecular Discovery VolSurf Plus v1.0.4  Software

Posted by Король ссылки at May 30, 2010
Molecular Discovery VolSurf Plus v1.0.4

Molecular Discovery VolSurf Plus v1.0.4 | 42 MB

The pharmacokinetic behaviour of compounds is linked to their efficacy and thus is critical for drug discovery Understanding how to optimise compounds according to multiple simultaneous criteria is a great advantage in focusing design efforts VolSurf+ creates 128 molecular descriptors from 3D Molecular Interaction Fields (MIFs) produced by our
software GRID, which are particularly relevant to ADME prediction and are also simple to interpret. One example would be the interaction energy moment descriptor between
hydrophobic and hydrophilic regions, which is important for membrane permeability prediction. These can then be used with provided chemometric tools to build statistical models
Chemical Biology: Methods and Protocols (Methods in Molecular Biology, Book 1263)

Chemical Biology: Methods and Protocols (Methods in Molecular Biology) by Jonathan E. Hempel and Charles H. Williams
English | 2015 | ISBN: 1493922688 | 333 pages | Epub (conv) | 3.12 MB

Chemical Biology: Methods and Protocols (Methods in Molecular Biology, Book 1263)  eBooks & eLearning

Posted by interes at Feb. 2, 2015
Chemical Biology: Methods and Protocols (Methods in Molecular Biology, Book 1263)

Chemical Biology: Methods and Protocols (Methods in Molecular Biology, Book 1263) by Jonathan E. Hempel and Charles H. Williams
English | 2015 | ISBN: 1493922688 | 333 pages | PDF | 9 MB

Searching for Molecular Solutions: Empirical Discovery and Its Future  eBooks & eLearning

Posted by fdts at Aug. 17, 2014
Searching for Molecular Solutions: Empirical Discovery and Its Future

Searching for Molecular Solutions: Empirical Discovery and Its Future
by Ian S. Dunn
English | 2009 | ISBN: 0470146826 | 458 pages | PDF | 4.39 MB

SAS JMP Statistical Discovery 11.0  Software

Posted by scutter at Dec. 28, 2013
SAS JMP Statistical Discovery 11.0

SAS JMP Statistical Discovery 11.0 | 617.0 mb

SAS, the leader in business analytics, released the latest 11.0 version of its JMP statistical discovery software, unveiling a groundbreaking new way to explore and visualise data.

SAS JMP Statistical Discovery 10.0  Software

Posted by Dizel_ at March 25, 2012
SAS JMP Statistical Discovery 10.0

SAS JMP Statistical Discovery 10.0 | 431.9 MB

What if you could explore your data to see the story behind the numbers? You can. Created by SAS for statistical discovery, every product in the JMP software suite is visual and interactive, comprehensive and extendible. No matter what your field, we have a product that will help you connect with your data - whether you are new to statistical analysis or are a seasoned statistician.

Component Models and Systems for Grid Applications  eBooks & eLearning

Posted by itun71 at June 1, 2009
Component Models and Systems for Grid Applications

Component Models and Systems for Grid Applications
Springer | November 19, 2004 | ISBN: 0387233512 | PDF | 7.6 Mb | 190 pages

Molecular Interaction Fields: Applications in Drug Discovery and ADME Prediction  eBooks & eLearning

Posted by ChrisRedfield at June 6, 2015
Molecular Interaction Fields: Applications in Drug Discovery and ADME Prediction

Gabriele Cruciani - Molecular Interaction Fields: Applications in Drug Discovery and ADME Prediction
Published: 2005-12-23 | ISBN: 3527310878 | PDF | 328 pages | 4.14 MB