Flexsim-R: a virtual affinity fingerprint descriptor to calculate similarities of functional groups (Q30952629)

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English	Flexsim-R: a virtual affinity fingerprint descriptor to calculate similarities of functional groups	scientific article

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Europe PubMed Central

PubMed publication ID

12825622

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27 June 2017

title

Flexsim-R: a virtual affinity fingerprint descriptor to calculate similarities of functional groups (English)

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Europe PubMed Central

PubMed publication ID

12825622

retrieved

27 June 2017

author name string

Alexander Weber

series ordinal

1

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Europe PubMed Central

PubMed publication ID

12825622

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27 June 2017

Andreas Teckentrup

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2

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Europe PubMed Central

PubMed publication ID

12825622

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27 June 2017

Hans Briem

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3

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Europe PubMed Central

PubMed publication ID

12825622

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27 June 2017

publication date

1 December 2002

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Europe PubMed Central

PubMed publication ID

12825622

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27 June 2017

published in

Journal of Computer - Aided Molecular Design

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Europe PubMed Central

PubMed publication ID

12825622

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27 June 2017

volume

16

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stated in

Europe PubMed Central

PubMed publication ID

12825622

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27 June 2017

issue

12

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Europe PubMed Central

PubMed publication ID

12825622

retrieved

27 June 2017

page(s)

903-916

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Europe PubMed Central

PubMed publication ID

12825622

retrieved

27 June 2017

cites work

IsoStar: a library of information about nonbonded interactions

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PubMed

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https://pubmed.ncbi.nlm.nih.gov/12825622

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12 December 2020

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The Protein Data Bank

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PubMed

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Peptide quantitative structure-activity relationships, a multivariate approach.

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PubMed

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https://pubmed.ncbi.nlm.nih.gov/12825622

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12 December 2020

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Crystal structures of Escherichia coli and Lactobacillus casei dihydrofolate reductase refined at 1.7 A resolution. II. Environment of bound NADPH and implications for catalysis.

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PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/12825622

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12 December 2020

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Structure-activity relationships of bradykinin potentiating peptides

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PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/12825622

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12 December 2020

based on heuristic

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A new method to detect related function among proteins independent of sequence and fold homology.

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PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/12825622

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12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Molecular similarity based on DOCK-generated fingerprints

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PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/12825622

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12 December 2020

based on heuristic

inferred from PubMed ID database lookup

X-ray crystallographic analysis of inhibition of endothiapepsin by cyclohexyl renin inhibitors

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PubMed

reference URL

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12 December 2020

based on heuristic

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Refined crystal structure of type III chloramphenicol acetyltransferase at 1.75 A resolution

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PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/12825622

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12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Flexsim-X: a method for the detection of molecules with similar biological activity

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PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/12825622

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12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Quantitative structure-activity relationships of the bitter thresholds of amino acids, peptides, and their derivatives.

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PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/12825622

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12 December 2020

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inferred from PubMed ID database lookup

Structure, multiple site binding, and segmental accommodation in thymidylate synthase on binding dUMP and an anti-folate

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PubMed

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https://pubmed.ncbi.nlm.nih.gov/12825622

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12 December 2020

based on heuristic

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Crystallographic analysis at 3.0-A resolution of the binding to human thrombin of four active site-directed inhibitors

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PubMed

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12 December 2020

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Where are the GaPs? A rational approach to monomer acquisition and selection

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12 December 2020

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Neighborhood behavior: a useful concept for validation of "molecular diversity" descriptors

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https://pubmed.ncbi.nlm.nih.gov/12825622

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12 December 2020

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A fast flexible docking method using an incremental construction algorithm.

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12 December 2020

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A validation study of molecular descriptors for the rational design of peptide libraries.

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PubMed

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https://pubmed.ncbi.nlm.nih.gov/12825622

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12 December 2020

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Calculating the knowledge-based similarity of functional groups using crystallographic data

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PubMed

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https://pubmed.ncbi.nlm.nih.gov/12825622

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12 December 2020

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Structure of papain refined at 1.65 A resolution

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PubMed

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https://pubmed.ncbi.nlm.nih.gov/12825622

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12 December 2020

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Structure-Activity Relationships of Enkephalin-Like Peptides

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PubMed

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https://pubmed.ncbi.nlm.nih.gov/12825622

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12 December 2020

based on heuristic

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Knowledge-based scoring function to predict protein-ligand interactions.

1 reference

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PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/12825622

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identifiers

DOI

10.1023/A:1023836420388

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stated in

Europe PubMed Central

PubMed publication ID

12825622

retrieved

27 June 2017

DBLP publication ID

journals/jcamd/WeberTB02

1 reference

stated in

DBLP Dataset 2021-01-02

retrieved

28 January 2021

Dimensions Publication ID

1021465758

0 references

PubMed publication ID

12825622

1 reference

stated in

Europe PubMed Central

PubMed publication ID

12825622

retrieved

27 June 2017

 

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