Similarity recognition of molecular structures by optimal atomic matching and rotational superposition. (Q51518984)

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14 February 2020

title

Similarity recognition of molecular structures by optimal atomic matching and rotational superposition (English)

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14 February 2020

publication date

14 October 2011

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Journal of Computational Chemistry

14 February 2020

published in

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volume

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issue

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page(s)

134-140

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Why do we need so many chemical similarity search methods?

14 February 2020

cites work

1 reference

The process of structure-based drug design

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Searching for the optimum structures of alloy nanoclusters.

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The performance of minima hopping and evolutionary algorithms for cluster structure prediction

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Chemical Similarity Searching

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Three-dimensional, sequence order-independent structural comparison of a serine protease against the crystallographic database reveals active site similarities: potential implications to evolution and to protein folding

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An algorithm for constraint-based structural template matching: application to 3D templates with statistical analysis.

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1 reference

A graph-theoretic approach to the identification of three-dimensional patterns of amino acid side-chains in protein structures

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Recognition of spatial motifs in protein structures

21 January 2018

1 reference

Protein structure alignment by incremental combinatorial extension (CE) of the optimal path

21 January 2018

1 reference

Techniques for the calculation of three-dimensional structural similarity using inter-atomic distances

21 January 2018

1 reference

MINRMS: an efficient algorithm for determining protein structure similarity using root-mean-squared-distance.

21 January 2018

1 reference

The Hungarian method for the assignment problem

21 January 2018

1 reference

Rapid calculation of RMSDs using a quaternion-based characteristic polynomial

21 January 2018

1 reference

A five-site model for liquid water and the reproduction of the density anomaly by rigid, nonpolarizable potential functions

21 January 2018

1 reference

Structural diversity and flexibility of MgO gas-phase clusters.

21 January 2018

1 reference

Global Optimization by Basin-Hopping and the Lowest Energy Structures of Lennard-Jones Clusters Containing up to 110 Atoms

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1002/JCC.21925

1 reference

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14 February 2020

DBLP publication ID

journals/jcc/HelmichS12

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

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