In this study, both structure-based and ligand-based drug design were employed to design novel HER2 inhibitors from traditional Chinese medicine (TCM). The HER2 structure model was built in homology modeling based on known receptors of the same family. Docking and de novo evolution experiments ...
In a lot of cases, ligand-based drug design and structure-based drug design can be applied together to develop potent drug candidates. These methods have been applied in different stages and aspects in the research and development at HitGen and benefitted multiple projects....
1) Ligand-based drug design 基于配体的药物设计2) substrate based design 基于底物的药物设计 1. In recent years, three methods of molecular design have been developed, including substrate based design,structure based design and combinatorial chemistry technology. 近年来 ,科学家们发展了三种分子设计...
State-of-the-art, structure-based method for assessing the energetics of water solvating ligand binding sites for ligand optimization Life Science Phase An easy-to-use pharmacophore modeling solution for ligand- and structure-based drug design Life Science Prime A powerful and innovative solution...
drug design- structure and ligand-based appraoches. (kenneth merz etl.) 药学 药物化学 第13页 小木虫 论坛
当当网图书频道在线销售正版《【预订】Drug Design: Structure- And Ligand-Based Approaches》,作者:Merz Jr,出版社:Cambridge University Press。最新《【预订】Drug Design: Structure- And Ligand-Based Approaches》简介、书评、试读、价格、图片等相关信息,尽在D
Structure-based Ligand Design (Methods and Principles in Medicinal Chemistry) By Klaus Gubernator, Hans-Joachim Böhm, Raimund Mannhold, Hugo Kubinyi, Hendrik Timmerman Publisher: Wiley-VCH Number Of Pages: 167 Publication Date: 1998-09-01 Most drugs bind to a clearly defined macromolecular ...
LEA3D: A Computer-Aided Ligand Design for Structure-Based Drug Design LEA3D: a computer-aided ligand design for structure-based drug design. Douguet,D.,Munier-Lehmann,H.,Labesse,G.,Pochet,S. Journal of Medicinal ... 被引量: 0发表: 2005年 e-LEA3D: a computational-aided drug design ...
Computer-aided drug design is traditionally divided into ligand1-based and structure-based methods. Ligand-based approaches are often applied when structural information on the protein target is scarce and analyse the biological and chemical properties of a pool of ligands. They include ligand-based ...
Structure-based approaches to drug design and virtual screening Structure-based virtual screening relies on fast and accurate computational methods for the prediction of receptor-ligand binding modes and binding affinities. ... B Waszkowycz - 《Current Opinion in Drug Discovery & Development》 被引量...