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List of works by Jason Cole

A database survey of molecular and crystallographic symmetry

scientific article published on 25 September 2003

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

scientific article

An automated method for consistent helix assignment using turn information.

scientific article published on March 2011

CSDSymmetry: the definitive database of point-group and space-group symmetry relationships in small-molecule crystal structures.

scientific article

Comparing protein-ligand docking programs is difficult.

scientific article

Development and validation of an improved algorithm for overlaying flexible molecules

scientific article

Generation of crystal structures using known crystal structures as analogues

scientific article published on 16 July 2016

Hotspots API: A Python Package for the Detection of Small Molecule Binding Hotspots and Application to Structure-Based Drug Design

scientific article published on 02 April 2020

How Significant Are Unusual Protein-Ligand Interactions? Insights from Database Mining

scientific article published on 15 November 2019

Identification of Noncompetitive Protein-Ligand Interactions for Structural Optimization

scientific article published on 21 October 2020

Improved protein-ligand docking using GOLD

scientific article (publication date: September 2003)

Knowledge-Based Conformer Generation Using the Cambridge Structural Database

scientific article published on 9 February 2018

Modeling water molecules in protein-ligand docking using GOLD.

scientific article

New insights and innovation from a million crystal structures in the Cambridge Structural Database

scientific article published on 28 August 2019

Pose prediction and virtual screening performance of GOLD scoring functions in a standardized test.

scientific article published on 28 February 2012

Potential and Limitations of Ensemble Docking ⬇️

scientific article published on April 17, 2012

Retrieval of crystallographically-derived molecular geometry information.

scientific article published in November 2004

Secbase: database module to retrieve secondary structure elements with ligand binding motifs.

scientific article published in October 2009

SuperStar: a knowledge-based approach for identifying interaction sites in proteins

scientific article published in June 1999

SuperStar: comparison of CSD and PDB-based interaction fields as a basis for the prediction of protein-ligand interactions.

scientific article

SuperStar: improved knowledge-based interaction fields for protein binding sites

scientific article

Testing assumptions and hypotheses for rescoring success in protein-ligand docking

scientific article published in August 2009

The ensemble performance index: an improved measure for assessing ensemble pose prediction performance.

scientific article published on 21 October 2011

The use of restraints in Rietveld refinement of molecular compounds; a case study using the crystal structure determination of tryptamine free base

scientific article published on 24 September 2002

Validating and understanding ring conformations using small molecule crystallographic data.

scientific article

WebCSD: the online portal to the Cambridge Structural Database

scientific article published on 12 February 2010

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