(Q37105008)

18 August 2017

Fragmentation-tree density representation for crystallographic modelling of bound ligands (English)

1 reference

18 August 2017

Victor S Lamzin

4

0 references

author name string

Gerrit G Langer

series ordinal

1

1 reference

18 August 2017

Guillaume X Evrard

series ordinal

2

1 reference

18 August 2017

Ciaran G Carolan

series ordinal

3

1 reference

18 August 2017

language of work or name

English

0 references

publication date

23 March 2012

1 reference

Journal of Molecular Biology

18 August 2017

12

1 reference

based on heuristic

inferred from page(s)

published in

1 reference

18 August 2017

419

1 reference

18 August 2017

3-4

1 reference

18 August 2017

211-222

1 reference

Features and development of Coot

18 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3747352

Application of 3D Zernike descriptors to shape-based ligand similarity searching

14 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3747352

Assisted assignment of ligands corresponding to unknown electron density

14 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3747352

The application of 3D Zernike moments for the description of "model-free" molecular structure, functional motion, and structural reliability.

14 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3747352

Automated macromolecular model building for X-ray crystallography using ARP/wARP version 7

14 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3747352

Application of fragment screening by X-ray crystallography to beta-secretase

14 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3747352

Automated ligand fitting by core-fragment fitting and extension into density

14 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3747352

Real spherical harmonic expansion coefficients as 3D shape descriptors for protein binding pocket and ligand comparisons.

14 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3747352

The Uppsala Electron-Density Server

14 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3747352

Refinement of macromolecular structures by the maximum-likelihood method

14 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3747352

The CCP4 suite: programs for protein crystallography

14 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3747352

Principles of docking: An overview of search algorithms and a guide to scoring functions

14 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3747352

Protein-ligand recognition using spherical harmonic molecular surfaces: towards a fast and efficient filter for large virtual throughput screening

14 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3747352

X-LIGAND: an application for the automated addition of flexible ligands into electron density.

14 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3747352

14 September 2017

The Protein Data Bank

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3747352

Databases in protein crystallography

14 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3747352

Locating and characterizing binding sites on proteins

14 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3747352

Assessment of automatic ligand building in ARP/wARP.

14 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3747352

Automated ligand placement and refinement with a combined force field and shape potential

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3747352

Automated crystallographic ligand building using the medial axis transform of an electron-density isosurface

3 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3747352

Fragment-based lead discovery using X-ray crystallography.

3 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3747352

Modelling bound ligands in protein crystal structures

3 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3747352

A docking score function for estimating ligand-protein interactions: application to acetylcholinesterase inhibition

3 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3747352

Using Fragment Cocktail Crystallography To Assist Inhibitor Design ofTrypanosoma bruceiNucleoside 2-Deoxyribosyltransferase†

3 September 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/22446381

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Principles of docking: An overview of search algorithms and a guide to scoring functions

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/22446381

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1016/J.JMB.2012.03.012

1 reference

18 August 2017

1 reference

18 August 2017

PubMed publication ID

22446381

1 reference