東華大學圖書館 |

Language: English

Help

回圖書館首頁

手機版館藏查詢

Back

Switch To: Labeled | MARC Mode | ISBD

Computational solvent mapping of pro...

Silberstein, Michael.

Linked to FindBook

Google Book

Amazon

博客來

Computational solvent mapping of proteins for binding-site identification and characterization.

Record Type:	Language materials, printed : Monograph/item
Title/Author:	Computational solvent mapping of proteins for binding-site identification and characterization./
Author:	Silberstein, Michael.
Description:	223 p.
Notes:	Adviser: Sandor Vajda.
Contained By:	Dissertation Abstracts International67-12B.
Subject:	Biology, Bioinformatics. -
Online resource:	http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=3246630

Computational solvent mapping of proteins for binding-site identification and characterization.
Silberstein, Michael.

Computational solvent mapping of proteins for binding-site identification and characterization. - 223 p.

Adviser: Sandor Vajda.

Thesis (Ph.D.)--Boston University, 2007.

Computational solvent mapping samples a protein surface for regions of favorable electrostatics, desolvation, and surface complementarity in order to predict, identify, and characterize protein binding sites. Using as probes small organic molecules containing a wide range of functional groups, mapping reveals regions on the protein surface where multiple probe types cluster that often correspond to ligand binding site(s). Additionally, the specific interactions made by the protein with the various probes resemble those occurring between the protein and its natural ligand(s).Subjects--Topical Terms:

1018415
Biology, Bioinformatics.

Computational solvent mapping of proteins for binding-site identification and characterization.
LDR:02510nam 2200265 a 45 001 947527
005 20110524
008 110524s2007 ||||||||||||||||| ||eng d
035 $a (UMI)AAI3246630
035 $a AAI3246630
040 $a UMI $c UMI
100 1 $a Silberstein, Michael. $3 1270995
245 1 0 $a Computational solvent mapping of proteins for binding-site identification and characterization.
300 $a 223 p.
500 $a Adviser: Sandor Vajda.
500 $a Source: Dissertation Abstracts International, Volume: 67-12, Section: B, page: 6813.
502 $a Thesis (Ph.D.)--Boston University, 2007.
520 $a Computational solvent mapping samples a protein surface for regions of favorable electrostatics, desolvation, and surface complementarity in order to predict, identify, and characterize protein binding sites. Using as probes small organic molecules containing a wide range of functional groups, mapping reveals regions on the protein surface where multiple probe types cluster that often correspond to ligand binding site(s). Additionally, the specific interactions made by the protein with the various probes resemble those occurring between the protein and its natural ligand(s).
520 $a In this dissertation, I apply this methodology to a number of well-characterized proteins, including thermolysin, elastase, haloalkane dehalogenase, protein tyrosine phosphatase 1B, transaldolase, and other glycolytic and proteolytic enzymes in order to validate the method and to investigate numerous structural and biochemical questions pertaining to these proteins. The first part of this work assesses the computational mapping methodology with respect to its ability to correctly simulate the results of experimentally-derived solvent mapping studies and to identify and characterize protein binding sites in both ligand-bound and apostructures. The second part addresses mechanistic and structural questions using mapping to probe protein-ligand affinity and specificity, substrate-access and binding mechanisms, and allosteric interactions and conformational changes. The results demonstrate the versatility of this algorithm in locating and characterizing binding sites as well as investigating the various biochemical properties that underlie molecular recognition.
590 $a School code: 0017.
650 4 $a Biology, Bioinformatics. $3 1018415
690 $a 0715
710 2 $a Boston University. $3 1017454
773 0 $t Dissertation Abstracts International $g 67-12B.
790 $a 0017
790 1 0 $a Vajda, Sandor, $e advisor
791 $a Ph.D.
792 $a 2007
856 4 0 $u http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=3246630