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:
We implemented sophisticated graphics to visualize atom-based affinity contributions; that allow for a rough estimate of the ΔS / ΔH -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.Home Page
Buy Premium From My Links To Get Resumable Support,Max Speed & Support Me
Перед тем как скачать BioSolveIT SeeSAR 3.3
бесплатно, без смс, регистрации, на халяву, через торрент, рекомендуем прочитать отзывыо BioSolveIT SeeSAR 3.3.
Другие новости по теме:
Gumroad - Color,Light and Mood by James Zapata
Gumroad - Color,Light and Mood by James Zapata English | 2+ hours | aac, 44100 Hz, stereo | h264, yuv420p, 1120x700, 30.00 fps | 1.8 GbGenre: eLearning
Udemy - Principles of.PLC's Ladder Logic [LD] Programming
Udemy - Principles of PLC's Ladder Logic [LD] ProgrammingMP4 | Video: 820x460 | 58 kbps | 44 KHz | Duration: 5 Hours | 1.11 GBGenre: eLearning | Language: English
Yamicsoft Windows 8 Manager 2.2.8
Yamicsoft Windows 8 Manager 2.2.8 | 12 MBWindows 8 Manager is a system utility that helps you optimize, tweak, repair and clean up Windows 8. It will increase your system speed, eliminate system
OriginLab OriginPro 2015 SR2 version b9.2.272 15.09.09
OriginLab OriginPro 2015 SR2 version b9.2.272 15.09.09[center]OriginLab OriginPro 2015 SR2 version b9.2.272 | 818.1 mbOriginLab, a leading publisher of data analysis and graphing software, has
Xara Web Designer Premium 18.104.22.168788
Xara Web Designer Premium 22.214.171.124788 | 86 MBWith over 50 premium extras Xara Web Designer 10 Premium has everything you need to create amazing websites. Enjoy the advantages of complete design