The XChemExplorer graphical workflow tool for routine or large-scale protein-ligand structure determination. (Q30841808)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28291762%20AND%20SRC:MED&resulttype=core&format=json

5 April 2020

title

The XChemExplorer graphical workflow tool for routine or large-scale protein-ligand structure determination (English)

1 reference

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5 April 2020

1 reference

2

1 reference

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5 April 2020

Nicholas Pearce

3

1 reference

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5 April 2020

Patrick M Collins

4

1 reference

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5 April 2020

José Brandão-Neto

6

1 reference

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5 April 2020

Frank von Delft

9

1 reference

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5 April 2020

8

Brian Marsden

1 reference

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5 April 2020

1

Tobias Krojer

1 reference

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5 April 2020

5

Alice Douangamath

1 reference

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5 April 2020

author name string

Alexandre Dias

7

1 reference

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5 April 2020

publication date

24 February 2017

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28291762%20AND%20SRC:MED&resulttype=core&format=json

Acta crystallographica. Section D, Structural biology

5 April 2020

published in

1 reference

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5 April 2020

volume

73

1 reference

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5 April 2020

issue

Pt 3

1 reference

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5 April 2020

page(s)

267-278

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28291762%20AND%20SRC:MED&resulttype=core&format=json

AceDRG: a stereochemical description generator for ligands

5 April 2020

cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5349439

RoboDiff: combining a sample changer and goniometer for highly automated macromolecular crystallography experiments

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5349439

High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5349439

Fitmunk: improving protein structures by accurate, automatic modeling of side-chain conformations

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5349439

How good are my data and what is the resolution?

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5349439

Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5349439

Comparative Structural and Functional Studies of 4-(Thiazol-5-yl)-2-(phenylamino)pyrimidine-5-carbonitrile CDK9 Inhibitors Suggest the Basis for Isotype Selectivity

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5349439

Rapid-access, high-throughput synchrotron crystallography for drug discovery

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5349439

PDB_REDO: constructive validation, more than just looking for errors

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5349439

Handling ligands with Coot

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5349439

Canadian macromolecular crystallography facility: a suite of fully automated beamlines.

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5349439

Automated data collection for macromolecular crystallography

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5349439

REFMAC5 for the refinement of macromolecular crystal structures

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5349439

Data processing and analysis with the autoPROC toolbox

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5349439

Overview of the CCP4 suite and current developments

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5349439

X-ray crystallography in drug discovery.

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5349439

Features and development of Coot

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5349439

PHENIX: a comprehensive Python-based system for macromolecular structure solution

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5349439

Decision-making in structure solution using Bayesian estimates of map quality: the PHENIX AutoSol wizard

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5349439

MrBUMP: an automated pipeline for molecular replacement

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5349439

Crystallographic refinement of ligand complexes

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5349439

The Buccaneer software for automated model building. 1. Tracing protein chains

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5349439

Automated protein-ligand crystallography for structure-based drug design

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5349439

Auto-rickshaw: an automated crystal structure determination platform as an efficient tool for the validation of an X-ray diffraction experiment

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5349439

From The Cover: Automated protein crystal structure determination using ELVES

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5349439

High-throughput crystallography for lead discovery in drug design.

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5349439

Structural basis of metallo-β-lactamase, serine-β-lactamase and penicillin-binding protein inhibition by cyclic boronates

21 June 2018

1 reference

https://api.crossref.org/works/10.1107%2FS2059798316020234

21 January 2018

The PILATUS 1M detector.

1 reference

https://api.crossref.org/works/10.1107%2FS2059798316020234

Automating crystallographic structure solution and refinement of protein-ligand complexes.

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS2059798316020234

CRANK: new methods for automated macromolecular crystal structure solution

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS2059798316020234

Proper modelling of ligand binding requires an ensemble of bound and unbound states

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS2059798316020234

Techniques, tools and best practices for ligand electron-density analysis and results from their application to deposited crystal structures

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS2059798316020234

Iterative model building, structure refinement and density modification with the PHENIX AutoBuild wizard

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS2059798316020234

Statistical quality indicators for electron-density maps

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS2059798316020234

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS2059798316020234

Crystallization to obtain protein-ligand complexes for structure-aided drug design

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/28291762

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1107/S2059798316020234

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28291762%20AND%20SRC:MED&resulttype=core&format=json

5 April 2020

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28291762%20AND%20SRC:MED&resulttype=core&format=json

5 April 2020

1 reference