(Q28741259)

5

0 references

Tim Vandermeersch

2

0 references

Noel O'Boyle

object named as

Noel M O'Boyle

1

0 references

Anita R Maguire

object named as

Anita R Maguire

4

0 references

author name string

Christopher J Flynn

Journal of Cheminformatics

3

0 references

language of work or name

English

0 references

publication date

16 March 2011

0 references

published in

0 references

volume

3

0 references

issue

1

0 references

page(s)

8

0 references

copyright license

Creative Commons Attribution 2.0 Generic

start time

16 March 2011

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

1 reference

April 2022 Public Data File from Crossref

cites work

Rapid calculation of RMSDs using a quaternion-based characteristic polynomial

2 references

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3073927

17 March 2017

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3073927

Benchmarking sets for molecular docking

6 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3073927

Frog2: Efficient 3D conformation ensemble generator for small compounds.

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3073927

Conformer generation with OMEGA: algorithm and validation using high quality structures from the Protein Databank and Cambridge Structural Database

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3073927

DG-AMMOS: a new tool to generate 3d conformation of small molecules using distance geometry and automated molecular mechanics optimization for in silico screening

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3073927

MED-3DMC: a new tool to generate 3D conformation ensembles of small molecules with a Monte Carlo sampling of the conformational space

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3073927

MS-DOCK: accurate multiple conformation generator and rigid docking protocol for multi-step virtual ligand screening

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3073927

Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3073927

Assessment of conformational ensemble sizes necessary for specific resolutions of coverage of conformational space

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3073927

Generating conformer ensembles using a multiobjective genetic algorithm

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3073927

Impact of conformational flexibility on three-dimensional similarity searching using correlation vectors

27 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3073927

ConfGen: a conformational search method for efficient generation of bioactive conformers

27 November 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/21410983

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Conformations and 3D pharmacophore searching

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/21410983

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

An all atom force field for simulations of proteins and nucleic acids

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/21410983

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

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

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/1758-2946-3-8

Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94

2 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/1758-2946-3-8

A new force field for molecular mechanical simulation of nucleic acids and proteins

2 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/1758-2946-3-8

A solution for the best rotation to relate two sets of vectors

2 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/1758-2946-3-8

journals/jcheminf/OBoyleVFMH11

2 January 2022

Identifiers

DOI

10.1186/1758-2946-3-8

0 references

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02