(Q33822695)

29 July 2017

title

Pharmacophore alignment search tool: influence of the third dimension on text-based similarity searching (English)

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29 July 2017

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4

Gisbert Schneider

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29 July 2017

Volker Hähnke

1

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29 July 2017

Alexander Klenner

series ordinal

2

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29 July 2017

Friedrich Rippmann

series ordinal

3

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29 July 2017

publication date

15 February 2011

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Journal of Computational Chemistry

29 July 2017

published in

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29 July 2017

volume

32

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29 July 2017

issue

8

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29 July 2017

page(s)

1618-1634

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PhAST: pharmacophore alignment search tool

29 July 2017

cites work

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Pharmacophore alignment search tool: Influence of canonical atom labeling on similarity searching

21 January 2018

1 reference

Evaluating virtual screening methods: good and bad metrics for the "early recognition" problem.

21 January 2018

1 reference

A statistical framework to evaluate virtual screening

21 January 2018

1 reference

A NEW MEASURE OF RANK CORRELATION

21 January 2018

1 reference

Protein structure alignment

21 January 2018

1 reference

On lines and planes of closest fit to systems of points in space

21 January 2018

1 reference

A global geometric framework for nonlinear dimensionality reduction

21 January 2018

1 reference

Learning kernels from biological networks by maximizing entropy

21 January 2018

1 reference

Nearest neighbor pattern classification

21 January 2018

1 reference

Stochastic proximity embedding

21 January 2018

1 reference

SMILES. 2. Algorithm for generation of unique SMILES notation

21 January 2018

1 reference

A simple algorithm for unique representation of chemical structures-cyclic/acyclic functionalized achiral molecules.

21 January 2018

1 reference

A general method applicable to the search for similarities in the amino acid sequence of two proteins

21 January 2018

1 reference

Maximum unbiased validation (MUV) data sets for virtual screening based on PubChem bioactivity data

21 January 2018

1 reference

Critical comparison of virtual screening methods against the MUV data set.

21 January 2018

1 reference

Benchmarking sets for molecular docking

21 January 2018

1 reference

Optimization of CAMD techniques 3. Virtual screening enrichment studies: a help or hindrance in tool selection?

21 January 2018

1 reference

Optimal assignment methods for ligand-based virtual screening

21 January 2018

1 reference

The properties of known drugs. 1. Molecular frameworks

21 January 2018

1 reference

A CROC stronger than ROC: measuring, visualizing and optimizing early retrieval.

21 January 2018

1 reference

Reoptimization of MDL keys for use in drug discovery

21 January 2018

1 reference

LINGO, an efficient holographic text based method to calculate biophysical properties and intermolecular similarities

21 January 2018

1 reference

A novel search engine for virtual screening of very large databases.

21 January 2018

1 reference

Scaffold hopping by "fuzzy" pharmacophores and its application to RNA targets

21 January 2018

1 reference

Homology model adjustment and ligand screening with a pseudoreceptor of the human histamine H4 receptor

21 January 2018

1 reference

A holistic approach to protein structure alignment

21 January 2018

1 reference

A rapid method of protein structure alignment

21 January 2018

1 reference

Amino acid substitution matrices from protein blocks

21 January 2018

1 reference

21 January 2018

The Protein Data Bank

1 reference

Crystal structure of the human angiotensin-converting enzyme-lisinopril complex

21 January 2018

1 reference

Structural details on the binding of antihypertensive drugs captopril and enalaprilat to human testicular angiotensin I-converting enzyme.

21 January 2018

1 reference

A novel mechanism of cyclooxygenase-2 inhibition involving interactions with Ser-530 and Tyr-385

21 January 2018

1 reference

Structural basis for selective inhibition of cyclooxygenase-2 by anti-inflammatory agents

21 January 2018

1 reference

Three-dimensional structure of M. tuberculosis dihydrofolate reductase reveals opportunities for the design of novel tuberculosis drugs

21 January 2018

1 reference

Crystal structures of human factor Xa complexed with potent inhibitors

21 January 2018

1 reference

Preparation, characterization, and the crystal structure of the inhibitor ZK-807834 (CI-1031) complexed with factor Xa

21 January 2018

1 reference

Asymmetry in the PPARgamma/RXRalpha crystal structure reveals the molecular basis of heterodimerization among nuclear receptors

21 January 2018

1 reference

Structural and biochemical basis for selective repression of the orphan nuclear receptor liver receptor homolog 1 by small heterodimer partner

21 January 2018

1 reference

D-Phe-Pro-Arg type thrombin inhibitors: unexpected selectivity by modification of the P1 moiety

21 January 2018

1 reference

Mathematical Contributions to the Theory of Evolution. III. Regression, Heredity, and Panmixia

21 January 2018

1 reference

Comparison of topological, shape, and docking methods in virtual screening.

21 January 2018

1 reference

Ultrafast shape recognition for similarity search in molecular databases

21 January 2018

1 reference

Ueber die stetige Abbildung einer Line auf ein Fl�chenst�ck

21 January 2018

1 reference

21 January 2018

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21 January 2018

Identifiers

DOI

10.1002/JCC.21742

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29 July 2017

DBLP publication ID

journals/jcc/HahnkeKRS11

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DBLP Dataset 2021-01-02

28 January 2021

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