计算化学与计算机辅助药物发现：第1部分。 - Suppr

Computational chemistry and computer-aided drug discovery: part 1.

作者信息

Bajorath Jürgen

机构信息

Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology & Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universität, Dahlmannstr. 2, D-53113 Bonn, Germany.

出版信息

Future Med Chem. 2016 Sep;8(14):1705-6. doi: 10.4155/fmc-2016-0264.

DOI:10.4155/fmc-2016-0264

PMID:27603809

Abstract

摘要

相似文献

Computational chemistry and computer-aided drug discovery: part 1.

Future Med Chem. 2016 Sep;8(14):1705-6. doi: 10.4155/fmc-2016-0264.

Breaking the data barrier in computational medicinal chemistry.

Future Med Chem. 2014 Mar;6(3):245-6. doi: 10.4155/fmc.14.2.

Ask the experts: computational chemistry.

Future Med Chem. 2018 Jul;10(13):1521-1524. doi: 10.4155/fmc-2018-0176. Epub 2018 Jul 11.

Computational chemistry at Janssen.

J Comput Aided Mol Des. 2017 Mar;31(3):267-273. doi: 10.1007/s10822-016-9998-9. Epub 2016 Dec 19.

The integration of computational chemistry during drug discovery to drive decisions: are we there yet?

Future Med Chem. 2016 Sep;8(14):1717-20. doi: 10.4155/fmc-2016-0161. Epub 2016 Sep 1.

Pushing the boundaries of computational approaches: special focus issue on computational chemistry and computer-aided drug discovery.

Future Med Chem. 2015;7(18):2415-7. doi: 10.4155/fmc.15.157. Epub 2015 Dec 11.

Chemo-bioinformatics based mathematical descriptors and their applications in computational drug design.

Curr Comput Aided Drug Des. 2010 Dec;6(4):223-4. doi: 10.2174/1573409911006040223.

Software Infrastructure for Computer-aided Drug Discovery and Development, a Practical Example with Guidelines.

Mol Inform. 2016 Sep;35(8-9):382-90. doi: 10.1002/minf.201501037. Epub 2016 Jun 20.

Interview with Paul Selzer.

Future Med Chem. 2014 Mar;6(3):263-6. doi: 10.4155/fmc.14.11.

Tools, techniques, organisation and culture of the CADD group at Sygnature Discovery.

J Comput Aided Mol Des. 2017 Mar;31(3):305-308. doi: 10.1007/s10822-016-9989-x. Epub 2016 Oct 31.

引用本文的文献

Unveiling Glucosinolate Diversity in Germplasm and In Silico Analysis for Determining Optimal Antioxidant Potential.

Antioxidants (Basel). 2024 Mar 19;13(3):376. doi: 10.3390/antiox13030376.

文献AI研究员

20分钟写一篇综述，助力文献阅读效率提升50倍。

立即体验

用中文搜PubMed

大模型驱动的PubMed中文搜索引擎

马上搜索

文档翻译

学术文献翻译模型，支持多种主流文档格式。

立即体验

相似文献

Computational chemistry and computer-aided drug discovery: part 1.

Future Med Chem. 2016 Sep;8(14):1705-6. doi: 10.4155/fmc-2016-0264.

Breaking the data barrier in computational medicinal chemistry.

Future Med Chem. 2014 Mar;6(3):245-6. doi: 10.4155/fmc.14.2.

Ask the experts: computational chemistry.

Future Med Chem. 2018 Jul;10(13):1521-1524. doi: 10.4155/fmc-2018-0176. Epub 2018 Jul 11.

Computational chemistry at Janssen.

J Comput Aided Mol Des. 2017 Mar;31(3):267-273. doi: 10.1007/s10822-016-9998-9. Epub 2016 Dec 19.

The integration of computational chemistry during drug discovery to drive decisions: are we there yet?

Future Med Chem. 2016 Sep;8(14):1717-20. doi: 10.4155/fmc-2016-0161. Epub 2016 Sep 1.

Pushing the boundaries of computational approaches: special focus issue on computational chemistry and computer-aided drug discovery.

Future Med Chem. 2015;7(18):2415-7. doi: 10.4155/fmc.15.157. Epub 2015 Dec 11.

Chemo-bioinformatics based mathematical descriptors and their applications in computational drug design.

Curr Comput Aided Drug Des. 2010 Dec;6(4):223-4. doi: 10.2174/1573409911006040223.

Software Infrastructure for Computer-aided Drug Discovery and Development, a Practical Example with Guidelines.

Mol Inform. 2016 Sep;35(8-9):382-90. doi: 10.1002/minf.201501037. Epub 2016 Jun 20.

Interview with Paul Selzer.

Future Med Chem. 2014 Mar;6(3):263-6. doi: 10.4155/fmc.14.11.

Tools, techniques, organisation and culture of the CADD group at Sygnature Discovery.

J Comput Aided Mol Des. 2017 Mar;31(3):305-308. doi: 10.1007/s10822-016-9989-x. Epub 2016 Oct 31.

引用本文的文献

Unveiling Glucosinolate Diversity in Germplasm and In Silico Analysis for Determining Optimal Antioxidant Potential.

Antioxidants (Basel). 2024 Mar 19;13(3):376. doi: 10.3390/antiox13030376.

Computational chemistry and computer-aided drug discovery: part 1.

作者信息

机构信息

出版信息

相似文献

引用本文的文献

文献AI研究员

用中文搜PubMed

文档翻译

Suppr 超能文献

相似文献

引用本文的文献