✦ LIBER ✦

Simple knowledge-based descriptors to predict protein-ligand interactions. Methodology and validation

✍ Scribed by J. Willem M. Nissink; Marcel L. Verdonk; Gerhard Klebe

Book ID: 110258696
Publisher: Springer Netherlands
Year: 2000
Tongue: English
Weight: 261 KB
Volume: 14
Category: Article
ISSN: 0920-654X
DOI: 10.1023/a:1008109717641

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Knowledge-based scoring function to pred

Knowledge-based scoring function to predict protein-ligand interactions

✍ Holger Gohlke; Manfred Hendlich; Gerhard Klebe 📂 Article 📅 2000 🏛 Elsevier Science 🌐 English ⚖ 474 KB

An iterative knowledge-based scoring fun

An iterative knowledge-based scoring function to predict protein–ligand interactions: II. Validation of the scoring function

✍ Sheng-You Huang; Xiaoqin Zou 📂 Article 📅 2006 🏛 John Wiley and Sons 🌐 English ⚖ 467 KB

## Abstract We have developed an iterative knowledge‐based scoring function (ITScore) to describe protein–ligand interactions. Here, we assess ITScore through extensive tests on native structure identification, binding affinity prediction, and virtual database screening. Specifically, ITScore was f

An iterative knowledge-based scoring fun

An iterative knowledge-based scoring function to predict protein–ligand interactions: I. Derivation of interaction potentials

✍ Sheng-You Huang; Xiaoqin Zou 📂 Article 📅 2006 🏛 John Wiley and Sons 🌐 English ⚖ 333 KB

## Abstract Using a novel iterative method, we have developed a knowledge‐based scoring function (ITScore) to predict protein–ligand interactions. The pair potentials for ITScore were derived from a training set of 786 protein–ligand complex structures in the Protein Data Bank. Twenty‐six atom type