Improving molecular docking through eHiTS' tunable scoring function. (Q51500330)

6 April 2018

title

Improving molecular docking through eHiTS' tunable scoring function. (English)

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6 April 2018

author name string

Orr Ravitz

series ordinal

1

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6 April 2018

Zsolt Zsoldos

series ordinal

2

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6 April 2018

Aniko Simon

series ordinal

3

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6 April 2018

publication date

11 November 2011

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6 April 2018

Journal of Computer - Aided Molecular Design

published in

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6 April 2018

volume

25

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6 April 2018

issue

11

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page(s)

1033-1051

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6 April 2018

https://scigraph.springernature.com/pub.10.1007/s10822-011-9482-5

exact match

0 references

cites work

Docking ligands into flexible and solvated macromolecules. 4. Are popular scoring functions accurate for this class of proteins?

1 reference

https://api.crossref.org/works/10.1007%2FS10822-011-9482-5

An extensive test of 14 scoring functions using the PDBbind refined set of 800 protein-ligand complexes.

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-011-9482-5

Comparison of topological, shape, and docking methods in virtual screening.

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-011-9482-5

A critical assessment of docking programs and scoring functions

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-011-9482-5

Detailed analysis of scoring functions for virtual screening

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-011-9482-5

Binding site characteristics in structure-based virtual screening: evaluation of current docking tools

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-011-9482-5

Evaluation of docking performance: comparative data on docking algorithms

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-011-9482-5

Assessing scoring functions for protein-ligand interactions

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-011-9482-5

Can we trust docking results? Evaluation of seven commonly used programs on PDBbind database.

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-011-9482-5

Comparison of consensus scoring strategies for evaluating computational models of protein-ligand complexes

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-011-9482-5

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%2FS10822-011-9482-5

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-011-9482-5

Protein Alpha Shape (PAS) Dock: a new gaussian-based score function suitable for docking in homology modelled protein structures

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-011-9482-5

Empirical scoring functions: I. The development of a fast empirical scoring function to estimate the binding affinity of ligands in receptor complexes.

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-011-9482-5

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%2FS10822-011-9482-5

Glide: a new approach for rapid, accurate docking and scoring. 2. Enrichment factors in database screening

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-011-9482-5

A fast flexible docking method using an incremental construction algorithm.

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-011-9482-5

Deciphering common failures in molecular docking of ligand-protein complexes.

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-011-9482-5

Development and validation of a genetic algorithm for flexible docking

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-011-9482-5

Automated docking of substrates to proteins by simulated annealing

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-011-9482-5

Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-011-9482-5

Automated docking with grid-based energy evaluation

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-011-9482-5

eHiTS: a new fast, exhaustive flexible ligand docking system

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-011-9482-5

eHiTS: an innovative approach to the docking and scoring function problems.

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-011-9482-5

General and targeted statistical potentials for protein-ligand interactions.

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-011-9482-5

A machine learning-based method to improve docking scoring functions and its application to drug repurposing

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-011-9482-5

A general approach for developing system-specific functions to score protein-ligand docked complexes using support vector inductive logic programming.

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-011-9482-5

The Uppsala Electron-Density Server

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-011-9482-5

Neuraminidase inhibitors for influenza

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-011-9482-5

LASSO-ligand activity by surface similarity order: a new tool for ligand based virtual screening.

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-011-9482-5

Lessons in molecular recognition. 2. Assessing and improving cross-docking accuracy.

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-011-9482-5

Benchmarking sets for molecular docking

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-011-9482-5

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%2FS10822-011-9482-5

The PDBbind database: methodologies and updates

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-011-9482-5

The Alzheimer's disease beta-secretase enzyme, BACE1.

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-011-9482-5

Comparison of several molecular docking programs: pose prediction and virtual screening accuracy.

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-011-9482-5

The meaning and use of the area under a receiver operating characteristic (ROC) curve

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-011-9482-5

What do we know and when do we know it?

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-011-9482-5

Optimization of CAMD techniques 3. Virtual screening enrichment studies: a help or hindrance in tool selection?

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-011-9482-5

Virtual decoy sets for molecular docking benchmarks.

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-011-9482-5

AIScore chemically diverse empirical scoring function employing quantum chemical binding energies of hydrogen-bonded complexes

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-011-9482-5

Virtual screening workflow development guided by the "receiver operating characteristic" curve approach. Application to high-throughput docking on metabotropic glutamate receptor subtype 4

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/22076470

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/22076470

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

LigScore: a novel scoring function for predicting binding affinities

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/22076470

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1007/S10822-011-9482-5

1 reference

6 April 2018

journals/jcamd/RavitzZS11

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

6 April 2018