✦ LIBER ✦

QXP: Powerful, rapid computer algorithms for structure-based drug design

✍ Scribed by Colin Mcmartin; Regine S. Bohacek

Book ID: 110256083
Publisher: Springer Netherlands
Year: 1997
Tongue: English
Weight: 303 KB
Volume: 11
Category: Article
ISSN: 0920-654X
DOI: 10.1023/a:1007907728892

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

A novel computational tool for automated

A novel computational tool for automated structure-based drug design

✍ Hans-Joachim Böhm 📂 Article 📅 1993 🏛 John Wiley and Sons 🌐 English ⚖ 776 KB

## Abstract The computer program LUDI for automated structure‐based drug design is described. The program constructs possible new ligands for a given protein of known three‐dimensional structure. This novel approach is based upon rules about energetically favourable non‐bonded contact geometries be

A novel conformation optimization model

A novel conformation optimization model and algorithm for structure-based drug design

✍ Ling Kang; Honglin Li; Xiaoyu Zhao; Hualiang Jiang; Xicheng Wang 📂 Article 📅 2008 🏛 Springer 🌐 English ⚖ 227 KB

Molecular docking of enzyme inhibitors :

Molecular docking of enzyme inhibitors : A COMPUTATIONAL TOOL FOR STRUCTURE-BASED DRUG DESIGN

✍ Aleksandra Rudnitskaya; Béla Török; Marianna Török 📂 Article 📅 2010 🏛 The American Society for Biochemistry and Molecula 🌐 English ⚖ 175 KB 👁 3 views

PRO_SELECT: Combining structure-based dr

PRO_SELECT: Combining structure-based drug design and combinatorial chemistry for rapid lead discovery. 1. Technology

✍ Christopher W. Murray; David E. Clark; Timothy R. Auton; Michael A. Firth; Jin L 📂 Article 📅 1997 🏛 Springer Netherlands 🌐 English ⚖ 112 KB

Identification and mapping of small-mole

Identification and mapping of small-molecule binding sites in proteins: computational tools for structure-based drug design

✍ Christoph Sotriffer; Gerhard Klebe 📂 Article 📅 2002 🏛 Elsevier Science 🌐 English ⚖ 108 KB

Identification and Mapping of Small-Mole

Identification and Mapping of Small-Molecule Binding Sites in Proteins: Computational Tools for Structure-Based Drug Design.

✍ Christoph Sotriffer; Gerhard Klebe 📂 Article 📅 2010 🏛 John Wiley and Sons ⚖ 25 KB 👁 4 views