SURFCOMP: a novel graph-based approach to molecular surface comparison. (Q44904072)

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28 December 2019

title

SURFCOMP: a novel graph-based approach to molecular surface comparison (English)

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28 December 2019

3

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28 December 2019

author name string

Christian Hofbauer

series ordinal

1

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28 December 2019

Hans Lohninger

series ordinal

2

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28 December 2019

publication date

1 May 2004

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Journal of Chemical Information and Computer Sciences

28 December 2019

published in

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volume

44

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28 December 2019

issue

3

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28 December 2019

page(s)

837-847

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A fast new approach to pharmacophore mapping and its application to dopaminergic and benzodiazepine agonists.

28 December 2019

cites work

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Subgraph isomorphism, matching relational structures and maximal cliques

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Molecular surface-volume and property matching to superpose flexible dissimilar molecules.

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Molecular surface representations by sparse critical points

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The interpretation of protein structures: Estimation of static accessibility

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Crystal structures of recombinant human dihydrofolate reductase complexed with folate and 5-deazafolate

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Algorithm 457: finding all cliques of an undirected graph

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

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3D hydrogen bond thermodynamics (HYBOT) potentials in molecular modelling

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Three-dimensional profiles: a new tool to identify protein surface similarities.

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Pattern recognition strategies for molecular surfaces. I. Pattern generation using fuzzy set theory.

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Principles of docking: An overview of search algorithms and a guide to scoring functions

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Harmonic Mappings of Riemannian Manifolds

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Gene duplications in the structural evolution of chymotrypsin

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Comparison of protein surfaces using a genetic algorithm

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The Protein Data Bank

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Molecular skins: a new concept for quantitative shape matching of a protein with its small molecule mimics

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Molecular surface complementarity at protein-protein interfaces: the critical role played by surface normals at well placed, sparse, points in docking

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Solvent-accessible surfaces of proteins and nucleic acids

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7 December 2024

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Segmentation of protein surfaces using fuzzy logic.

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7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI0342371

Identifiers

DOI

10.1021/CI0342371

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:15154748 AND SRC:MED&resulttype=core&format=json

journals/jcisd/HofbauerLA04

28 December 2019

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

28 January 2021

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