(Q52220779)

27 April 2018

title

Comparison of two implementations of the incremental construction algorithm in flexible docking of thrombin inhibitors. (English)

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27 April 2018

author name string

R M Knegtel

1

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27 April 2018

D M Bayada

2

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27 April 2018

R A Engh

3

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27 April 2018

W von der Saal

4

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27 April 2018

V J van Geerestein

5

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27 April 2018

P D Grootenhuis

6

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27 April 2018

publication date

1 March 1999

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27 April 2018

Journal of Computer - Aided Molecular Design

published in

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27 April 2018

volume

13

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27 April 2018

page(s)

167-183

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27 April 2018

issue

2

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27 April 2018

https://scigraph.springernature.com/pub.10.1023/a:1008014604433

exact match

0 references

cites work

Hammerhead: fast, fully automated docking of flexible ligands to protein binding sites.

1 reference

12 December 2020

Functionality map analysis of the active site cleft of human thrombin

1 reference

12 December 2020

Evaluation of the CASP2 docking section

1 reference

12 December 2020

Correlation of binding affinities with non-bonded interaction energies of thrombin-inhibitor complexes

1 reference

12 December 2020

The development of a simple empirical scoring function to estimate the binding constant for a protein-ligand complex of known three-dimensional structure

1 reference

12 December 2020

Development and validation of a genetic algorithm for flexible docking

1 reference

12 December 2020

Automated docking of flexible ligands: applications of AutoDock

1 reference

12 December 2020

Flexible ligand docking using conformational ensembles

1 reference

12 December 2020

Flexible docking and design.

1 reference

12 December 2020

A geometric approach to macromolecule-ligand interactions

1 reference

12 December 2020

Refined 2.3 A X-ray crystal structure of bovine thrombin complexes formed with the benzamidine and arginine-based thrombin inhibitors NAPAP, 4-TAPAP and MQPA. A starting point for improving antithrombotics

1 reference

12 December 2020

Locating biologically active compounds in medium-sized heterogeneous datasets by topological autocorrelation vectors: dopamine and benzodiazepine agonists.

1 reference

12 December 2020

The Protein Data Bank: a computer-based archival file for macromolecular structures

1 reference

12 December 2020

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

1 reference

12 December 2020

1 reference

12 December 2020

Flexibases: a way to enhance the use of molecular docking methods

1 reference

12 December 2020

FLOG: a system to select 'quasi-flexible' ligands complementary to a receptor of known three-dimensional structure

1 reference

12 December 2020

A fast flexible docking method using an incremental construction algorithm.

1 reference

12 December 2020

Multiple automatic base selection: protein-ligand docking based on incremental construction without manual intervention.

1 reference

12 December 2020

Molecular docking to ensembles of protein structures

1 reference

12 December 2020

CASP2 experiences with docking flexible ligands using FlexX.

1 reference

12 December 2020

Enzyme flexibility, solvent and 'weak' interactions characterize thrombin-ligand interactions: implications for drug design

1 reference

12 December 2020

Identifiers

DOI

10.1023/A:1008014604433

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27 April 2018

journals/jcamd/KnegtelBESGG99

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

0 references

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27 April 2018