Flexible ligand-flexible protein docking in protein kinase systems.

Chung F. Wong

doi:10.1016/j.bbapap.2007.10.005

Flexible ligand-flexible protein docking in protein kinase systems.

Chung F. Wong

University of Missouri-St. Louis

Research output: Contribution to journal › Article › peer-review

Abstract

Quite a few reviews on molecular docking have already appeared. This mini-review focuses on methods that incorporate protein flexibility in docking rather than those that treat protein targets as rigid molecules. This is still a challenging problem but there are encouraging recent advances. These methods will be reviewed particularly in light of their applications to protein kinases and phosphatases . In addition to obtaining correct docking pose, recent developments on exploring docking pathways are also highlighted.

Original language	American English
Journal	Biochimica et Biophysica Acta
Volume	1784
DOIs	https://doi.org/10.1016/j.bbapap.2007.10.005
State	Published - Jan 1 2008

Keywords

Docking pathway
Mining minima
Molecular dynamics
Protein phosphatase
Simulated annealing

Disciplines

Biochemistry
Biology
Bioinformatics
Molecular Biology

Access to Document

10.1016/j.bbapap.2007.10.005License: Unspecified

Cite this

@article{ed0d2c410c3644f397f4801b279920a6,

title = "Flexible ligand-flexible protein docking in protein kinase systems.",

abstract = " Quite a few reviews on molecular docking have already appeared. This mini-review focuses on methods that incorporate protein flexibility in docking rather than those that treat protein targets as rigid molecules. This is still a challenging problem but there are encouraging recent advances. These methods will be reviewed particularly in light of their applications to protein kinases and phosphatases . In addition to obtaining correct docking pose, recent developments on exploring docking pathways are also highlighted. ",

keywords = "Docking pathway, Mining minima, Molecular dynamics, Protein phosphatase, Simulated annealing",

author = "Wong, \{Chung F.\}",

note = "Quite a few reviews on molecular docking have already appeared. This mini-review focuses on methods that incorporate protein flexibility in docking ra...",

year = "2008",

month = jan,

day = "1",

doi = "10.1016/j.bbapap.2007.10.005",

language = "American English",

volume = "1784",

journal = "Biochimica et Biophysica Acta",

}

TY - JOUR

T1 - Flexible ligand-flexible protein docking in protein kinase systems.

AU - Wong, Chung F.

N1 - Quite a few reviews on molecular docking have already appeared. This mini-review focuses on methods that incorporate protein flexibility in docking ra...

PY - 2008/1/1

Y1 - 2008/1/1

N2 - Quite a few reviews on molecular docking have already appeared. This mini-review focuses on methods that incorporate protein flexibility in docking rather than those that treat protein targets as rigid molecules. This is still a challenging problem but there are encouraging recent advances. These methods will be reviewed particularly in light of their applications to protein kinases and phosphatases . In addition to obtaining correct docking pose, recent developments on exploring docking pathways are also highlighted.

AB - Quite a few reviews on molecular docking have already appeared. This mini-review focuses on methods that incorporate protein flexibility in docking rather than those that treat protein targets as rigid molecules. This is still a challenging problem but there are encouraging recent advances. These methods will be reviewed particularly in light of their applications to protein kinases and phosphatases . In addition to obtaining correct docking pose, recent developments on exploring docking pathways are also highlighted.

KW - Docking pathway

KW - Mining minima

KW - Molecular dynamics

KW - Protein phosphatase

KW - Simulated annealing

UR - https://www.sciencedirect.com/science/article/pii/S1570963907002592

U2 - 10.1016/j.bbapap.2007.10.005

DO - 10.1016/j.bbapap.2007.10.005

M3 - Article

VL - 1784

JO - Biochimica et Biophysica Acta

JF - Biochimica et Biophysica Acta

ER -

Flexible ligand-flexible protein docking in protein kinase systems.

Abstract

Keywords

Disciplines

Access to Document

Other files and links

Cite this