(Q42639520)

4 November 2017

title

Bias, reporting, and sharing: computational evaluations of docking methods (English)

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4 November 2017

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Ajay N Jain

1

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4 November 2017

publication date

13 December 2007

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Journal of Computer - Aided Molecular Design

4 November 2017

published in

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4 November 2017

volume

22

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4 November 2017

issue

3-4

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4 November 2017

page(s)

201-212

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https://scigraph.springernature.com/pub.10.1007/s10822-007-9151-x

4 November 2017

exact match

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cites work

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12 December 2020

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12 December 2020

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12 December 2020

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12 December 2020

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12 December 2020

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12 December 2020

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

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12 December 2020

A detailed comparison of current docking and scoring methods on systems of pharmaceutical relevance

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Scoring noncovalent protein-ligand interactions: a continuous differentiable function tuned to compute binding affinities

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12 December 2020

Parameter estimation for scoring protein-ligand interactions using negative training data

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12 December 2020

Fast structure-based virtual ligand screening combining FRED, DOCK, and Surflex

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12 December 2020

A fast flexible docking method using an incremental construction algorithm.

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Comparison of automated docking programs as virtual screening tools

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Virtual screening in lead discovery and optimization.

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Evaluating virtual screening methods: good and bad metrics for the "early recognition" problem.

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Benchmarking sets for molecular docking

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

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12 December 2020

10.1007/S10822-007-9151-X

Identifiers

DOI

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4 November 2017

DBLP publication ID

journals/jcamd/Jain08

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DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

1028051221

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