(Q38972436)

8 September 2017

AceDRG: a stereochemical description generator for ligands (English)

1 reference

8 September 2017

Antanas Vaitkus

6

0 references

Andrius Merkys

object named as

Andrius Merkys

5

0 references

author name string

Fei Long

1

1 reference

8 September 2017

Robert A Nicholls

2

1 reference

8 September 2017

Paul Emsley

3

1 reference

8 September 2017

Saulius Gražulis

4

1 reference

8 September 2017

Garib N Murshudov

7

1 reference

8 September 2017

1 February 2017

1 reference

Acta crystallographica. Section D, Structural biology

8 September 2017

1 reference

8 September 2017

73

1 reference

8 September 2017

Pt 2

1 reference

8 September 2017

112-122

1 reference

The Cambridge Structural Database

8 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5297914

9 September 2017

Cryo-EM enters a new era

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5297914

Visualizing ligand molecules in Twilight electron density

9 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5297914

PDB_REDO: constructive validation, more than just looking for errors

9 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5297914

JLigand: a graphical tool for the CCP4 template-restraint library

9 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5297914

Exploiting structure similarity in refinement: automated NCS and target-structure restraints in BUSTER

9 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5297914

Crystallography Open Database – an open-access collection of crystal structures

9 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5297914

Presenting your structures: the CCP4mg molecular-graphics software

9 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5297914

REFMAC5 for the refinement of macromolecular crystal structures

9 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5297914

Overview of the CCP4 suite and current developments

9 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5297914

Exploring drug target flexibility using in situ click chemistry: application to a mycobacterial transcriptional regulator

9 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5297914

Features and development of Coot

9 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5297914

Super-resolution biomolecular crystallography with low-resolution data

9 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5297914

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

9 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5297914

Structural basis of substrate binding to UDP-galactopyranose mutase: crystal structures in the reduced and oxidized state complexed with UDP-galactopyranose and UDP

9 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5297914

electronic Ligand Builder and Optimization Workbench (eLBOW): a tool for ligand coordinate and restraint generation

9 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5297914

Using MSDchem to search the PDB ligand dictionary

9 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5297914

9 September 2017

A short history of SHELX

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5297914

RM1: a reparameterization of AM1 for H, C, N, O, P, S, F, Cl, Br, and I

9 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5297914

REFMAC5 dictionary: organization of prior chemical knowledge and guidelines for its use

9 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5297914

Retrieval of crystallographically-derived molecular geometry information.

9 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5297914

PRODRG: a tool for high-throughput crystallography of protein-ligand complexes

9 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5297914

Ligand Depot: a data warehouse for ligands bound to macromolecules

9 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5297914

9 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=5297914

Validation and correction of Zn-CysxHisy complexes.

9 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5297914

Protein-ligand cocrystal structures: we can do better

9 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5297914

Automated conformational analysis and structure generation: algorithms for molecular perception.

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5297914

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

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5297914

Low-resolution refinement tools in REFMAC5.

21 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5297914

The good, the bad and the twisted: a survey of ligand geometry in protein crystal structures.

21 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5297914

Recent developments in the methods and applications of the bond valence model

21 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5297914

Aromaticity of organic heterocyclothiazenes and analogues

21 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5297914

New parameters for the refinement of nucleic acid-containing structures

21 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5297914

Applications of graph theory in chemistry

21 August 2018

1 reference

https://api.crossref.org/works/10.1107%2FS2059798317000067

Description of several chemical structure file formats used by computer programs developed at Molecular Design Limited

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS2059798317000067

Review of ring perception algorithms for chemical graphs

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS2059798317000067

Accurate bond and angle parameters for X-ray protein structure refinement

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS2059798317000067

Ring Perception Using Breadth-First Search

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS2059798317000067

Crystallography Open Database (COD): an open-access collection of crystal structures and platform for world-wide collaboration

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS2059798317000067

Validation and extraction of molecular-geometry information from small-molecule databases

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS2059798317000067

Keep it together: restraints in crystallographic refinement of macromolecule-ligand complexes

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS2059798317000067

SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS2059798317000067

SMILES. 2. Algorithm for generation of unique SMILES notation

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS2059798317000067

10.1107/S2059798317000067

21 January 2018

Identifiers

DOI

1 reference

8 September 2017

1 reference

8 September 2017

PubMed publication ID

28177307

1 reference