(Q28465578)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22824207%20AND%20SRC:MED&resulttype=core&format=json

8 February 2020

title

ACPYPE - AnteChamber PYthon Parser interfacE (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22824207%20AND%20SRC:MED&resulttype=core&format=json

Alan Wilter Sousa da Silva

8 February 2020

author

series ordinal

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22824207%20AND%20SRC:MED&resulttype=core&format=json

8 February 2020

Wim F. Vranken

series ordinal

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22824207%20AND%20SRC:MED&resulttype=core&format=json

8 February 2020

author name string

Alan W Sousa da Silva

series ordinal

1

0 references

language of work or name

English

0 references

publication date

23 July 2012

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22824207%20AND%20SRC:MED&resulttype=core&format=json

8 February 2020

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22824207%20AND%20SRC:MED&resulttype=core&format=json

8 February 2020

volume

5

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22824207%20AND%20SRC:MED&resulttype=core&format=json

8 February 2020

issue

1

0 references

page(s)

367

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22824207%20AND%20SRC:MED&resulttype=core&format=json

GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

8 February 2020

cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3461484

CHARMM general force field: A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3461484

CHARMM: the biomolecular simulation program

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3461484

Version 1.2 of the Crystallography and NMR system

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3461484

The worldwide Protein Data Bank (wwPDB): ensuring a single, uniform archive of PDB data

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3461484

ARIA2: automated NOE assignment and data integration in NMR structure calculation

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3461484

Comparison of multiple Amber force fields and development of improved protein backbone parameters

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3461484

The Blue Obelisk-interoperability in chemical informatics

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3461484

Scalable molecular dynamics with NAMD

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3461484

The CCPN data model for NMR spectroscopy: development of a software pipeline

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3461484

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

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3461484

The Xplor-NIH NMR molecular structure determination package

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3461484

19 March 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=3461484

VMD: visual molecular dynamics

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3461484

R.E.DD.B.: a database for RESP and ESP atomic charges, and force field libraries

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3461484

Increasing the precision of comparative models with YASARA NOVA-a self-parameterizing force field

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3461484

Development and testing of a general amber force field

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3461484

A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3461484

Refinement of the AMBER force field for nucleic acids: improving the description of alpha/gamma conformers

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3461484

Automatic atom type and bond type perception in molecular mechanical calculations

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3461484

RECOORD: a recalculated coordinate database of 500+ proteins from the PDB using restraints from the BioMagResBank

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3461484

A biomolecular force field based on the free enthalpy of hydration and solvation: the GROMOS force-field parameter sets 53A5 and 53A6

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3461484

GROMACS molecule & liquid database

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3461484

The NMR restraints grid at BMRB for 5,266 protein and nucleic acid PDB entries

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3461484

Long-timescale molecular dynamics simulations of protein structure and function.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3461484

Exploring the helix-coil transition via all-atom equilibrium ensemble simulations

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3461484

A framework for scientific data modeling and automated software development

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3461484

Force fields for protein simulations

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3461484

Pound-wise but penny-foolish: How well do micromolecules fare in macromolecular refinement?

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3461484

CING: an integrated residue-based structure validation program suite

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3461484

On the use of orientational restraints and symmetry corrections in alchemical free energy calculations

2 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3461484

An Automated Force Field Topology Builder (ATB) and Repository: Version 1.0

2 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3461484

PDBe: Protein Data Bank in Europe

27 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3461484

PDBe: Protein Data Bank in Europe

27 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3461484

The implementation of a fast and accurate QM/MM potential method in Amber

27 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3461484

PDBe: Protein Data Bank in Europe

27 November 2018

1 reference

COCI

https://opencitations.net/index/api/v1/citations/10.1093/NAR/GKR998

Comparison of Automatic Three-Dimensional Model Builders Using 639 X-ray Structures

9 September 2024

1 reference

7 December 2024

https://opencitations.net/index/api/v1/citations/10.1021/CI00020A039

Identifiers

DOI

10.1186/1756-0500-5-367

2 references

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22824207%20AND%20SRC:MED&resulttype=core&format=json

Dimensions Publication ID

8 February 2020

1 reference

9 September 2019

https://scigraph.springernature.com/pub.10.1186/1756-0500-5-367

Fatcat ID

release_f4g57xcv6ffztnsojjvy3chpia

1 reference

Fatcat

https://api.fatcat.wiki/v0/release/f4g57xcv6ffztnsojjvy3chpia

mapped directly with Wikidata item

24 November 2022

based on heuristic

1 reference

2 references

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22824207%20AND%20SRC:MED&resulttype=core&format=json

8 February 2020

PubMed publication ID

22824207

2 references

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22824207%20AND%20SRC:MED&resulttype=core&format=json