rollroy98
15th March 2017, 07:46
BioSolveIT SeeSAR 4.2
http://i76.fastpic.ru/big/2016/0405/c7/b522601a1113ed483f8bbff904f59ac7.jpg
BioSolveIT SeeSAR 4.2 | 25 MB
SeeSAR is a software tool for interactive, visual compound prioritization as well as compound evolution. Structure-based design work ideally supports a multi-parameter optimization to maximize the likelihood of success, rather than affinity alone. Having the relevant parameters at hand in combination with real-time visual computer assistance in 3D is one of the strengths of SeeSAR.
Stimulating exploration with SeeSAR, we have embarked on persuing a new cheminformatics compute paradigm of "Propose & Validate" with these first four themes accomplished so far:
1. affinities:
We implemented sophisticated graphics to visualize atom-based affinity contributions; that allow for a rough estimate of the ?S / ?H -split of the Free Energy. (This is an ongoing co-development between BAYER, the University of Hamburg and BioSolveIT.)
2. phys-chem properties:
Relevant parameters are computed on-the-fly or imported to be taken into consideration throughout the design process.
3. torsional 'heat':
Torsional statistics analyses (developed between Hoffmann-LaRoche and the University of Hamburg); is readily available via intuitive color-coding.
4. 'explorable space':
A tight fit is the prerequisite for both, affinity and specificity. Therefore, as guidance for the user, efficient computation combined with refined graphics provides on-the-fly visualization of gaps in the binding interface and positions where a tighter fit is likely to be gained.
Buy a premium to download file with fast speed
thanks
Rapidgator.net
http://rapidgator.net/file/361f3bf6dd9fb4bb713cccdec4cf1c87/nn4a0.BSIT.SSAR.4.2.rar.html
alfafile.net
http://alfafile.net/file/iEHE/nn4a0.BSIT.SSAR.4.2.rar
http://i76.fastpic.ru/big/2016/0405/c7/b522601a1113ed483f8bbff904f59ac7.jpg
BioSolveIT SeeSAR 4.2 | 25 MB
SeeSAR is a software tool for interactive, visual compound prioritization as well as compound evolution. Structure-based design work ideally supports a multi-parameter optimization to maximize the likelihood of success, rather than affinity alone. Having the relevant parameters at hand in combination with real-time visual computer assistance in 3D is one of the strengths of SeeSAR.
Stimulating exploration with SeeSAR, we have embarked on persuing a new cheminformatics compute paradigm of "Propose & Validate" with these first four themes accomplished so far:
1. affinities:
We implemented sophisticated graphics to visualize atom-based affinity contributions; that allow for a rough estimate of the ?S / ?H -split of the Free Energy. (This is an ongoing co-development between BAYER, the University of Hamburg and BioSolveIT.)
2. phys-chem properties:
Relevant parameters are computed on-the-fly or imported to be taken into consideration throughout the design process.
3. torsional 'heat':
Torsional statistics analyses (developed between Hoffmann-LaRoche and the University of Hamburg); is readily available via intuitive color-coding.
4. 'explorable space':
A tight fit is the prerequisite for both, affinity and specificity. Therefore, as guidance for the user, efficient computation combined with refined graphics provides on-the-fly visualization of gaps in the binding interface and positions where a tighter fit is likely to be gained.
Buy a premium to download file with fast speed
thanks
Rapidgator.net
http://rapidgator.net/file/361f3bf6dd9fb4bb713cccdec4cf1c87/nn4a0.BSIT.SSAR.4.2.rar.html
alfafile.net
http://alfafile.net/file/iEHE/nn4a0.BSIT.SSAR.4.2.rar