(Q73667207)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10761126%20AND%20SRC:MED&resulttype=core&format=json

5 November 2019

title

New approach to molecular docking and its application to virtual screening of chemical databases (English)

1 reference

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5 November 2019

1 reference

1 reference

Baxter CA

1

1 reference

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5 November 2019

Murray CW

2

1 reference

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5 November 2019

Waszkowycz B

3

1 reference

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5 November 2019

Li J

4

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5 November 2019

Sykes RA

5

1 reference

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5 November 2019

Bone RG

6

1 reference

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5 November 2019

Perkins TD

7

1 reference

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5 November 2019

Wylie W

8

1 reference

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5 November 2019

publication date

1 March 2000

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10761126%20AND%20SRC:MED&resulttype=core&format=json

Journal of Chemical Information and Computer Sciences

5 November 2019

published in

0 references

volume

40

1 reference

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5 November 2019

issue

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10761126%20AND%20SRC:MED&resulttype=core&format=json

5 November 2019

page(s)

254-262

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10761126%20AND%20SRC:MED&resulttype=core&format=json

Identification of Biological Activity Profiles Using Substructural Analysis and Genetic Algorithms

5 November 2019

cites work

2 references

7 December 2024

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7 December 2024

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Prediction of binding constants of protein ligands: a fast method for the prioritization of hits obtained from de novo design or 3D database search programs

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7 December 2024

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

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI990440D

Molecular docking towards drug discovery

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7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI990440D

Docking small-molecule ligands into active sites

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7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI990440D

X-ray structure of active site-inhibited clotting factor Xa. Implications for drug design and substrate recognition

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI990440D

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

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI990440D

Virtual screening—an overview

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI990440D

A geometric approach to macromolecule-ligand interactions

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI990440D

A genetic algorithm based method for docking flexible molecules

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI990440D

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

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7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI990440D

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

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI990440D

Molecular recognition of the inhibitor AG-1343 by HIV-1 protease: conformationally flexible docking by evolutionary programming

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI990440D

Flexible docking using Tabu search and an empirical estimate of binding affinity

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI990440D

A comparison of heuristic search algorithms for molecular docking.

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI990440D

A fast flexible docking method using an incremental construction algorithm.

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI990440D

Flexible Docking and Design

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI990440D

Development and validation of a genetic algorithm for flexible docking

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI990440D

Molecular recognition of receptor sites using a genetic algorithm with a description of desolvation

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI990440D

Computational methods for biomolecular docking.

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI990440D

Empirical scoring functions: I. The development of a fast empirical scoring function to estimate the binding affinity of ligands in receptor complexes

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI990440D

Flexible ligand docking using a genetic algorithm

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI990440D

The sensitivity of the results of molecular docking to induced fit effects: application to thrombin, thermolysin and neuraminidase

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI990440D

QXP: powerful, rapid computer algorithms for structure-based drug design

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI990440D

Synthesis of a Series of Potent and Orally Bioavailable Thrombin Inhibitors That Utilize 3,3-Disubstituted Propionic Acid Derivatives in the P3 Position

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI990440D

Automated docking of substrates to proteins by simulated annealing

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI990440D

Scoring noncovalent protein-ligand interactions: a continuous differentiable function tuned to compute binding affinities

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI990440D

Distributed automated docking of flexible ligands to proteins: Parallel applications of AutoDock 2.4

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI990440D

Ligand—protein docking and rational drug design

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI990440D

(Z,Z)-2,7-Bis(4-amidinobenzylidene)cycloheptan-1-one: Identification of a Highly Active Inhibitor of Blood Coagulation Factor Xa

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI990440D

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

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI990440D

Identifiers

DOI

10.1021/CI990440D

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10761126%20AND%20SRC:MED&resulttype=core&format=json

journals/jcisd/BaxterMWLSBPW00

5 November 2019

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference