(Q40898209)

24 September 2017

Ligand docking and binding site analysis with PyMOL and Autodock/Vina (English)

1 reference

24 September 2017

Daniel Seeliger

1

1 reference

PMCID

2881210

24 September 2017

Bert L de Groot

series ordinal

2

1 reference

24 September 2017

17 April 2010

1 reference

Journal of Computer - Aided Molecular Design

24 September 2017

1 reference

24 September 2017

24

1 reference

24 September 2017

5

1 reference

24 September 2017

417-422

1 reference

https://scigraph.springernature.com/pub.10.1007/s10822-010-9352-6

24 September 2017

0 references

cites work

AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2881210

DOVIS: an implementation for high-throughput virtual screening using AutoDock

24 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2881210

A semiempirical free energy force field with charge-based desolvation

24 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2881210

CAVER: a new tool to explore routes from protein clefts, pockets and cavities

24 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2881210

BDT: an easy-to-use front-end application for automation of massive docking tasks and complex docking strategies with AutoDock

24 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2881210

Docking and scoring in virtual screening for drug discovery: methods and applications

24 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2881210

Electrostatics of nanosystems: application to microtubules and the ribosome

24 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2881210

Python: a programming language for software integration and development

24 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2881210

24 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=2881210

Anatomy of protein pockets and cavities: measurement of binding site geometry and implications for ligand design

24 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2881210

Analytical shape computation of macromolecules: II. Inaccessible cavities in proteins.

24 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2881210

Analytical shape computation of macromolecules: I. Molecular area and volume through alpha shape.

15 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2881210

Identification of tunnels in proteins, nucleic acids, inorganic materials and molecular ensembles.

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2881210

eMovie: a storyboard-based tool for making molecular movies

19 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2881210

10.1007/S10822-010-9352-6

2 December 2018

Identifiers

DOI

1 reference

journals/jcamd/SeeligerG10

24 September 2017

1 reference

DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

0 references

1 reference

24 September 2017

1 reference

PMCID

2881210