Binding Affinity Prediction for Protein–Ligand Complexes Based on β Contacts and B Factor-Reference-Cited by-同舟云学术

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Binding Affinity Prediction for Protein–Ligand Complexes Based on β Contacts and B Factor

Published:2013-11-05 Issue:11 Volume:53 Page:3076-3085
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Liu Qian¹,Kwoh Chee Keong²,Li Jinyan¹

Affiliation:

1. Advanced Analytics Institute and Center for Health Technologies, University of Technology, Sydney, Sydney, New South Wales, NSW 2007 Australia

2. Bioinformatics Research Center, School of Computer Engineering, Nanyang Technological University, 639798 Singapore

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/ci400450h

Reference44 articles.

1. Assessing Scoring Functions for Protein−Ligand Interactions

2. Global Free Energy Scoring Functions Based on Distance-Dependent Atom-Type Pair Descriptors

3. A knowledge-guided strategy for improving the accuracy of scoring functions in binding affinity prediction

4. A machine learning approach to predicting protein–ligand binding affinity with applications to molecular docking

5. Distributed automated docking of flexible ligands to proteins: Parallel applications of AutoDock 2.4

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3. Machine Learning for Sequence and Structure-Based Protein–Ligand Interaction Prediction;Journal of Chemical Information and Modeling;2024-02-22

4. Structure-based, deep-learning models for protein-ligand binding affinity prediction;Journal of Cheminformatics;2024-01-03

5. Ensemble of local and global information for Protein–Ligand Binding Affinity Prediction;Computational Biology and Chemistry;2023-12

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