(Q79197682)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17024701%20AND%20SRC:MED&resulttype=core&format=json

20 December 2019

title

Addressing protein flexibility and ligand selectivity by "in situ cross-docking" (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17024701%20AND%20SRC:MED&resulttype=core&format=json

20 December 2019

author name string

Matthias Zentgraf

series ordinal

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17024701%20AND%20SRC:MED&resulttype=core&format=json

20 December 2019

Jasmine Fokkens

series ordinal

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17024701%20AND%20SRC:MED&resulttype=core&format=json

20 December 2019

Christoph A Sotriffer

series ordinal

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17024701%20AND%20SRC:MED&resulttype=core&format=json

20 December 2019

publication date

1 December 2006

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17024701%20AND%20SRC:MED&resulttype=core&format=json

20 December 2019

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17024701%20AND%20SRC:MED&resulttype=core&format=json

20 December 2019

volume

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17024701%20AND%20SRC:MED&resulttype=core&format=json

20 December 2019

issue

12

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17024701%20AND%20SRC:MED&resulttype=core&format=json

20 December 2019

page(s)

1355-1359

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17024701%20AND%20SRC:MED&resulttype=core&format=json

"In situ cross-docking" to simultaneously address multiple targets.

20 December 2019

cites work

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200600073

7 January 2021

Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200600073

7 January 2021

Probing flexibility and "induced-fit" phenomena in aldose reductase by comparative crystal structure analysis and molecular dynamics simulations

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200600073

7 January 2021

A highly selective, non-hydantoin, non-carboxylic acid inhibitor of aldose reductase with potent oral activity in diabetic rat models: 6-(5-chloro-3-methylbenzofuran- 2-sulfonyl)-2-H-pyridazin-3-one

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200600073

7 January 2021

High-resolution crystal structure of aldose reductase complexed with the novel sulfonyl-pyridazinone inhibitor exhibiting an alternative active site anchoring group

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200600073

7 January 2021

A simple protocol to estimate differences in protein binding affinity for enantiomers without prior resolution of racemates

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200600073

7 January 2021

Molecular recognition at the thrombin active site: structure-based design and synthesis of potent and selective thrombin inhibitors and the X-ray crystal structures of two thrombin-inhibitor complexes

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200600073

7 January 2021

Structural basis for selectivity of a small molecule, S1-binding, submicromolar inhibitor of urokinase-type plasminogen activator

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200600073

7 January 2021

FlexE: efficient molecular docking considering protein structure variations.

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200600073

7 January 2021

Molecular docking to ensembles of protein structures

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200600073

7 January 2021

Automated docking to multiple target structures: incorporation of protein mobility and structural water heterogeneity in AutoDock

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200600073

7 January 2021

Identifiers

DOI

10.1002/CMDC.200600073

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17024701%20AND%20SRC:MED&resulttype=core&format=json

20 December 2019

1 reference