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Computational Studies of Biological ...

Kim, Seonghan.

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Computational Studies of Biological Systems and Nanomaterials and Their Applications.

Record Type:	Electronic resources : Monograph/item
Title/Author:	Computational Studies of Biological Systems and Nanomaterials and Their Applications./
Author:	Kim, Seonghan.
Published:	Ann Arbor : ProQuest Dissertations & Theses, : 2024,
Description:	210 p.
Notes:	Source: Dissertations Abstracts International, Volume: 85-07, Section: B.
Contained By:	Dissertations Abstracts International85-07B.
Subject:	Computational chemistry. -
Online resource:	https://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=30812254
ISBN:	9798381377453

Computational Studies of Biological Systems and Nanomaterials and Their Applications.
Kim, Seonghan.

Computational Studies of Biological Systems and Nanomaterials and Their Applications. - Ann Arbor : ProQuest Dissertations & Theses, 2024 - 210 p.

Source: Dissertations Abstracts International, Volume: 85-07, Section: B.

Thesis (Ph.D.)--Lehigh University, 2024.

This item must not be sold to any third party vendors.

Molecular simulation is an invaluable tool across multiple research fields, encompassing biological systems, drug discovery, nanomaterial science, and more. Scientists employ diverse simulation methods to address the challenges within these fields. However, progress is limited by the complexities of the systems. I have utilized molecular modeling, molecular dynamics (MD) simulation, and steered molecular dynamics (SMD) simulation to address complex problems in chemistry, biophysics, drug discovery, and nanoscience. This thesis covers three primary research topics: biophysical characterization of protein-protein interaction between SARS-CoV-2 spike receptor binding domain (RBD) and human angiotensin-converting enzyme 2 (ACE2), CHARMM-GUI Nanomaterial Modeler and its applications to various nanomaterial/nano-bio systems, and development of Bicelle Builder in CHARMM-GUI.

ISBN: 9798381377453Subjects--Topical Terms:

3350019
Computational chemistry.
Subjects--Index Terms:

Biological systems

Computational Studies of Biological Systems and Nanomaterials and Their Applications.
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245 1 0 $a Computational Studies of Biological Systems and Nanomaterials and Their Applications.
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300 $a 210 p.
500 $a Source: Dissertations Abstracts International, Volume: 85-07, Section: B.
500 $a Advisor: Im, Wonpil.
502 $a Thesis (Ph.D.)--Lehigh University, 2024.
506 $a This item must not be sold to any third party vendors.
520 $a Molecular simulation is an invaluable tool across multiple research fields, encompassing biological systems, drug discovery, nanomaterial science, and more. Scientists employ diverse simulation methods to address the challenges within these fields. However, progress is limited by the complexities of the systems. I have utilized molecular modeling, molecular dynamics (MD) simulation, and steered molecular dynamics (SMD) simulation to address complex problems in chemistry, biophysics, drug discovery, and nanoscience. This thesis covers three primary research topics: biophysical characterization of protein-protein interaction between SARS-CoV-2 spike receptor binding domain (RBD) and human angiotensin-converting enzyme 2 (ACE2), CHARMM-GUI Nanomaterial Modeler and its applications to various nanomaterial/nano-bio systems, and development of Bicelle Builder in CHARMM-GUI.
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653 $a SARS-CoV-2
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