CSAR benchmark exercise of 2010: selection of the protein-ligand complexes. (Q35232599)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21728306%20AND%20SRC:MED&resulttype=core&format=json

6 February 2020

title

CSAR benchmark exercise of 2010: selection of the protein-ligand complexes (English)

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6 February 2020

4

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6 February 2020

Shaomeng Wang

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6 February 2020

Heather A Carlson

9

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6 February 2020

author name string

James B Dunbar

1

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6 February 2020

Richard D Smith

2

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6 February 2020

Chao-Yie Yang

3

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6 February 2020

Katrina W Lexa

5

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6 February 2020

Nickolay A Khazanov

6

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6 February 2020

Jeanne A Stuckey

7

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6 February 2020

language of work or name

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22 July 2011

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Journal of Chemical Information and Modeling

6 February 2020

published in

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6 February 2020

volume

51

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6 February 2020

issue

9

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6 February 2020

page(s)

2036-2046

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PDB_REDO: automated re-refinement of X-ray structure models in the PDB.

6 February 2020

cites work

1 reference

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Healthy skepticism: assessing realistic model performance

27 July 2018

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Recommendations for evaluation of computational methods

27 July 2018

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How to do an evaluation: pitfalls and traps

27 July 2018

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Binding MOAD, a high-quality protein-ligand database.

27 July 2018

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BindingDB: a web-accessible database of experimentally determined protein-ligand binding affinities

27 July 2018

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A critical assessment of docking programs and scoring functions

27 July 2018

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AffinDB: a freely accessible database of affinities for protein-ligand complexes from the PDB

27 July 2018

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DrugScore(CSD)-knowledge-based scoring function derived from small molecule crystal data with superior recognition rate of near-native ligand poses and better affinity prediction

27 July 2018

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The PDBbind database: methodologies and updates

27 July 2018

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

27 July 2018

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A new test set for validating predictions of protein-ligand interaction.

27 July 2018

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

27 July 2018

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Ligand-protein database: linking protein-ligand complex structures to binding data

27 July 2018

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27 July 2018

The Protein Data Bank

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Prediction of binding constants of protein ligands: a fast method for the prioritization of hits obtained from de novo design or 3D database search programs

27 July 2018

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

27 July 2018

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A geometric approach to macromolecule-ligand interactions

27 July 2018

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Conformer generation with OMEGA: algorithm and validation using high quality structures from the Protein Databank and Cambridge Structural Database

27 July 2018

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Diverse, high-quality test set for the validation of protein-ligand docking performance.

26 September 2018

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M-score: a knowledge-based potential scoring function accounting for protein atom mobility.

26 September 2018

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Ph4Dock: pharmacophore-based protein-ligand docking

26 September 2018

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Protein Ligand Database (PLD): additional understanding of the nature and specificity of protein–ligand complexes

26 September 2018

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SMall Molecule Growth 2001 (SMoG2001): an improved knowledge-based scoring function for protein-ligand interactions.

26 September 2018

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Simple, intuitive calculations of free energy of binding for protein-ligand complexes. 1. Models without explicit constrained water

26 September 2018

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

26 September 2018

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

26 September 2018

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A fast flexible docking method using an incremental construction algorithm.

26 September 2018

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The development of a simple empirical scoring function to estimate the binding constant for a protein-ligand complex of known three-dimensional structure

26 September 2018

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Molecular recognition of receptor sites using a genetic algorithm with a description of desolvation

26 September 2018

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Real-space solution to the problem of full disclosure

26 September 2018

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12 December 2020

Binding MOAD (Mother Of All Databases)

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12 December 2020

Structural artifacts in protein-ligand X-ray structures: implications for the development of docking scoring functions

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12 December 2020

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

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12 December 2020

Identifiers

DOI

10.1021/CI200082T

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21728306%20AND%20SRC:MED&resulttype=core&format=json

journals/jcisd/DunbarSYULKSWC11

6 February 2020

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21728306%20AND%20SRC:MED&resulttype=core&format=json

6 February 2020

1 reference