(Q42176495)

18 October 2017

title

A comparative study of family-specific protein-ligand complex affinity prediction based on random forest approach (English)

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18 October 2017

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Yu Wang

1

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18 October 2017

Yanzhi Guo

2

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18 October 2017

Qifan Kuang

3

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18 October 2017

Xuemei Pu

4

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18 October 2017

Yue Ji

5

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18 October 2017

Zhihang Zhang

6

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18 October 2017

Menglong Li

7

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18 October 2017

publication date

20 December 2014

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Journal of Computer - Aided Molecular Design

18 October 2017

published in

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18 October 2017

volume

29

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18 October 2017

issue

4

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18 October 2017

page(s)

349-360

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Docking and scoring--theoretically easy, practically impossible?

18 October 2017

cites work

1 reference

https://api.crossref.org/works/10.1007%2FS10822-014-9827-Y

Structure-based drug design: docking and scoring

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-014-9827-Y

Scoring functions for protein-ligand docking

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-014-9827-Y

Biomolecular NMR: a chaperone to drug discovery

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-014-9827-Y

Applications of NMR in drug discovery

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-014-9827-Y

A geometric approach to macromolecule-ligand interactions

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-014-9827-Y

Development and validation of a genetic algorithm for flexible docking

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-014-9827-Y

Solvated interaction energy (SIE) for scoring protein-ligand binding affinities. 1. Exploring the parameter space.

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-014-9827-Y

Ligand binding affinities from MD simulations.

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-014-9827-Y

Knowledge-based scoring function to predict protein-ligand interactions.

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-014-9827-Y

A general and fast scoring function for protein-ligand interactions: a simplified potential approach.

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-014-9827-Y

21 January 2018

PMF scoring revisited

1 reference

https://api.crossref.org/works/10.1007%2FS10822-014-9827-Y

A knowledge-based energy function for protein-ligand, protein-protein, and protein-DNA complexes

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-014-9827-Y

Three-dimensional distribution function theory for the prediction of protein-ligand binding sites and affinities: application to the binding of noble gases to hen egg-white lysozyme in aqueous solution

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-014-9827-Y

Molecular recognition of the inhibitor AG-1343 by HIV-1 protease: conformationally flexible docking by evolutionary programming

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-014-9827-Y

A fast flexible docking method using an incremental construction algorithm.

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-014-9827-Y

Further development and validation of empirical scoring functions for structure-based binding affinity prediction

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-014-9827-Y

SODOCK: swarm optimization for highly flexible protein-ligand docking.

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-014-9827-Y

A machine learning approach to predicting protein-ligand binding affinity with applications to molecular docking

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-014-9827-Y

CSAR benchmark exercise of 2010: combined evaluation across all submitted scoring functions.

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-014-9827-Y

Development of quantitative structure-binding affinity relationship models based on novel geometrical chemical descriptors of the protein-ligand interfaces

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-014-9827-Y

Predicting protein-ligand binding affinities using novel geometrical descriptors and machine-learning methods.

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-014-9827-Y

Reconstruction and analysis of human heart-specific metabolic network based on transcriptome and proteome data

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-014-9827-Y

Elevation of RNA-binding protein CUGBP1 is an early event in an inducible heart-specific mouse model of myotonic dystrophy

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-014-9827-Y

Species-specific recognition of single-stranded RNA via toll-like receptor 7 and 8

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-014-9827-Y

Knowledge-based scoring functions in drug design. 1. Developing a target-specific method for kinase-ligand interactions.

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-014-9827-Y

The PDBbind database: collection of binding affinities for protein-ligand complexes with known three-dimensional structures

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-014-9827-Y

Substituting random forest for multiple linear regression improves binding affinity prediction of scoring functions: Cyscore as a case study

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-014-9827-Y

PROFEAT: a web server for computing structural and physicochemical features of proteins and peptides from amino acid sequence

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-014-9827-Y

PowerMV: a software environment for molecular viewing, descriptor generation, data analysis and hit evaluation

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-014-9827-Y

Does a more precise chemical description of protein-ligand complexes lead to more accurate prediction of binding affinity?

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-014-9827-Y

Random forest: a classification and regression tool for compound classification and QSAR modeling

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-014-9827-Y

Comparative assessment of scoring functions on a diverse test set.

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-014-9827-Y

Species-specific identification of human adenoviruses by a multiplex PCR assay.

21 January 2018

1 reference

12 December 2020

Hierarchical PLS Modeling for Predicting the Binding of a Comprehensive Set of Structurally Diverse Protein−Ligand Complexes

1 reference

12 December 2020

Application of random forest approach to QSAR prediction of aquatic toxicity

1 reference

12 December 2020

QSAR studies on HIV-1 protease inhibitors using non-linearly transformed descriptors

1 reference

12 December 2020

A novel method for protein-ligand binding affinity prediction and the related descriptors exploration

1 reference

12 December 2020

10.1007/S10822-014-9827-Y

Identifiers

DOI

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journals/jcamd/WangGKPJZL15

18 October 2017

DBLP publication ID

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DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

1046630037

0 references

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