In Silico Chemistry and Biology : : Current and Future Prospects / / ed. by Girish Kumar Gupta, Mohammad Hassan Baig.

In Silico Chemistry and Biology: Current and Future Prospects provides a compact overview on recent advances in this highly dynamic branch of chemistry. Various methods of protein modelling and computer-assisted drug design are presented, including fragment- and ligand-based approaches. Many success...

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Superior document:Title is part of eBook package: De Gruyter DG Plus DeG Package 2022 Part 1
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HerausgeberIn:
Place / Publishing House:Berlin ;, Boston : : De Gruyter, , [2022]
©2022
Year of Publication:2022
Language:English
Online Access:
Physical Description:1 online resource (XIII, 197 p.)
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245 0 0 |a In Silico Chemistry and Biology :  |b Current and Future Prospects /  |c ed. by Girish Kumar Gupta, Mohammad Hassan Baig. 
264 1 |a Berlin ;  |a Boston :   |b De Gruyter,   |c [2022] 
264 4 |c ©2022 
300 |a 1 online resource (XIII, 197 p.) 
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505 0 0 |t Frontmatter --   |t Contents --   |t List of contributing authors --   |t 1 Pharmaceutical interest of in-silico approaches --   |t 2 Novel drug design and bioinformatics: an introduction --   |t 3 In silico drug design: application and success --   |t 4 Protein modeling --   |t 5 Fragment based drug design --   |t 6 An overview of in silico methods used in the design of VEGFR-2 inhibitors as anticancer agents --   |t 7 Molecular docking and MD: mimicking the real biological process --   |t 8 Molecular docking studies of tea (Thea sinensis Linn.) polyphenols inhibition pattern with Rat P-glycoprotein --   |t 9 Statistical methods for in silico tools used for risk assessment and toxicology --   |t 10 Systems biology–the transformative approach to integrate sciences across disciplines --   |t Index 
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520 |a In Silico Chemistry and Biology: Current and Future Prospects provides a compact overview on recent advances in this highly dynamic branch of chemistry. Various methods of protein modelling and computer-assisted drug design are presented, including fragment- and ligand-based approaches. Many successful practical applications of these techniques are demonstrated. The authors also look to the future and describe the main challenges of the field. 
530 |a Issued also in print. 
538 |a Mode of access: Internet via World Wide Web. 
546 |a In English. 
588 0 |a Description based on online resource; title from PDF title page (publisher's Web site, viewed 01. Dez 2022) 
650 4 |a Arzneistoff. 
650 4 |a Pharmazeutische Chemie. 
650 4 |a Proteine. 
650 4 |a Wirkstoffdesign. 
650 7 |a SCIENCE / Chemistry / Computational & Molecular Modeling.  |2 bisacsh 
653 |a Drug Design. 
653 |a Pharmaceutical Chemistry. 
653 |a Pharmaceuticals. 
653 |a Proteins. 
700 1 |a Ahmad Khan, Mohammad Kalim,   |e contributor.  |4 ctb  |4 https://id.loc.gov/vocabulary/relators/ctb 
700 1 |a Akhtar, Salman,   |e contributor.  |4 ctb  |4 https://id.loc.gov/vocabulary/relators/ctb 
700 1 |a Ali, Babar,   |e contributor.  |4 ctb  |4 https://id.loc.gov/vocabulary/relators/ctb 
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700 1 |a Ashok Sachdeo, Rahul,   |e contributor.  |4 ctb  |4 https://id.loc.gov/vocabulary/relators/ctb 
700 1 |a Baig, Mohammad Hassan,   |e editor.  |4 edt  |4 http://id.loc.gov/vocabulary/relators/edt 
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700 1 |a Begum, Shaheen,   |e contributor.  |4 ctb  |4 https://id.loc.gov/vocabulary/relators/ctb 
700 1 |a Bhandare, Richie R.,   |e contributor.  |4 ctb  |4 https://id.loc.gov/vocabulary/relators/ctb 
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700 1 |a Dhawan, Ravi,   |e contributor.  |4 ctb  |4 https://id.loc.gov/vocabulary/relators/ctb 
700 1 |a Dua, Kamal,   |e contributor.  |4 ctb  |4 https://id.loc.gov/vocabulary/relators/ctb 
700 1 |a Kumar Gupta, Girish ,   |e editor.  |4 edt  |4 http://id.loc.gov/vocabulary/relators/edt 
700 1 |a Kumar Gupta, Girish,   |e contributor.  |4 ctb  |4 https://id.loc.gov/vocabulary/relators/ctb 
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