東華大學圖書館 |

語系: 繁體中文

說明(常見問題)

回圖書館首頁

手機版館藏查詢

登入

回首頁

切換: 標籤 | MARC模式 | ISBD

Biomolecules' conformational changes...

Pang, Yui Tik.

FindBook

Google Book

Amazon

博客來

Biomolecules' conformational changes studied by simulations and enhanced sampling

紀錄類型:	書目-電子資源 : Monograph/item
正題名/作者:	Biomolecules' conformational changes studied by simulations and enhanced sampling/ by Yui Tik (Andrew) Pang.
作者:	Pang, Yui Tik.
出版者:	Cham :Springer Nature Switzerland : : 2024.,
面頁冊數:	xiv, 97 p. :ill. (some col.), digital ;24 cm.
附註:	"Doctoral thesis accepted by Georgia Institute of Technology, USA."
內容註:	Chapter 1: Introduction and Background -- Chapter 2: Parameterization of a drug molecule with a halogen-hole particle using ffTK: Implementation, testing, and comparison -- Chapter 3: Uncovering the folding mechanism of pertactin: A comparative study of isolated and vectorial folding -- Chapter 4: SARS-CoV-2 spike opening dynamics and energetics reveal the individual roles of glycans and their collective impact -- Chapter 5: Conclusions and Future Work.
Contained By:	Springer Nature eBook
標題:	Biomolecules. -
電子資源:	https://doi.org/10.1007/978-3-031-70602-8
ISBN:	9783031706028

Biomolecules' conformational changes studied by simulations and enhanced sampling
Pang, Yui Tik.

Biomolecules' conformational changes studied by simulations and enhanced sampling[electronic resource] /by Yui Tik (Andrew) Pang. - Cham :Springer Nature Switzerland :2024. - xiv, 97 p. :ill. (some col.), digital ;24 cm. - Springer theses,2190-5061. - Springer theses..

"Doctoral thesis accepted by Georgia Institute of Technology, USA."

Chapter 1: Introduction and Background -- Chapter 2: Parameterization of a drug molecule with a halogen-hole particle using ffTK: Implementation, testing, and comparison -- Chapter 3: Uncovering the folding mechanism of pertactin: A comparative study of isolated and vectorial folding -- Chapter 4: SARS-CoV-2 spike opening dynamics and energetics reveal the individual roles of glycans and their collective impact -- Chapter 5: Conclusions and Future Work.

This thesis illuminates the critical roles biomolecules, from small molecules to proteins, play in cellular functionality, particularly highlighting their conformational changes in response to environmental cues or binding events-a cornerstone concept in drug design as well as the manifestations of disease. It explores the conformational flexibility of small molecules and proteins, essential for predicting drug interactions and understanding biological processes. Through advanced molecular dynamics simulations and enhanced sampling techniques, this research offers unprecedented insights into the structural dynamics of three distinct biomolecular systems: the capsid assembly modulator AT130, the passenger domain of pertactin, and the SARS-CoV-2 spike protein. Each system represents a unique facet of biological complexity, underscoring the thesis's contribution to our understanding of biomolecular behavior across various scales. Furthermore, the thesis advances the field by updating the Force Field Toolkit for improved simulation accuracy. This work not only showcases the adaptability and importance of simulation techniques in modern biological research but also paves the way for novel therapeutic strategies by deepening our understanding of biomolecular dynamics.

ISBN: 9783031706028

Standard No.: 10.1007/978-3-031-70602-8doiSubjects--Topical Terms:

642999
Biomolecules.

LC Class. No.: QP514.2

Dewey Class. No.: 572

Biomolecules' conformational changes studied by simulations and enhanced sampling
LDR:02878nmm a2200349 a 4500 001 2375392
003 DE-He213
005 20240927130242.0
006 m d
007 cr nn 008maaau
008 241231s2024 sz s 0 eng d
020 $a 9783031706028 $q (electronic bk.)
020 $a 9783031706011 $q (paper)
024 7 $a 10.1007/978-3-031-70602-8 $2 doi
035 $a 978-3-031-70602-8
040 $a GP $c GP
041 0 $a eng
050 4 $a QP514.2
072 7 $a PHVN $2 bicssc
072 7 $a SCI009000 $2 bisacsh
072 7 $a PHVN $2 thema
082 0 4 $a 572 $2 23
090 $a QP514.2 $b .P191 2024
100 1 $a Pang, Yui Tik. $3 3724885
245 1 0 $a Biomolecules' conformational changes studied by simulations and enhanced sampling $h [electronic resource] / $c by Yui Tik (Andrew) Pang.
260 $a Cham : $b Springer Nature Switzerland : $b Imprint: Springer, $c 2024.
300 $a xiv, 97 p. : $b ill. (some col.), digital ; $c 24 cm.
490 1 $a Springer theses, $x 2190-5061
500 $a "Doctoral thesis accepted by Georgia Institute of Technology, USA."
505 0 $a Chapter 1: Introduction and Background -- Chapter 2: Parameterization of a drug molecule with a halogen-hole particle using ffTK: Implementation, testing, and comparison -- Chapter 3: Uncovering the folding mechanism of pertactin: A comparative study of isolated and vectorial folding -- Chapter 4: SARS-CoV-2 spike opening dynamics and energetics reveal the individual roles of glycans and their collective impact -- Chapter 5: Conclusions and Future Work.
520 $a This thesis illuminates the critical roles biomolecules, from small molecules to proteins, play in cellular functionality, particularly highlighting their conformational changes in response to environmental cues or binding events-a cornerstone concept in drug design as well as the manifestations of disease. It explores the conformational flexibility of small molecules and proteins, essential for predicting drug interactions and understanding biological processes. Through advanced molecular dynamics simulations and enhanced sampling techniques, this research offers unprecedented insights into the structural dynamics of three distinct biomolecular systems: the capsid assembly modulator AT130, the passenger domain of pertactin, and the SARS-CoV-2 spike protein. Each system represents a unique facet of biological complexity, underscoring the thesis's contribution to our understanding of biomolecular behavior across various scales. Furthermore, the thesis advances the field by updating the Force Field Toolkit for improved simulation accuracy. This work not only showcases the adaptability and importance of simulation techniques in modern biological research but also paves the way for novel therapeutic strategies by deepening our understanding of biomolecular dynamics.
650 0 $a Biomolecules. $3 642999
650 1 4 $a Molecular Biophysics. $3 3625914
650 2 4 $a Computational Physics and Simulations. $3 3538874
650 2 4 $a Virology. $3 642304
650 2 4 $a Biomaterials-Proteins. $3 3594115
650 2 4 $a Molecular Biology. $3 600567
710 2 $a SpringerLink (Online service) $3 836513
773 0 $t Springer Nature eBook
830 0 $a Springer theses. $3 1314442
856 4 0 $u https://doi.org/10.1007/978-3-031-70602-8
950 $a Physics and Astronomy (SpringerNature-11651)