An Exploration of Molecular Recognition Mechanisms and Ligand Induced Transitions in Biomolecules (Record no. 431631)

MARC details
000 -LEADER
fixed length control field 01938nam a22002177a 4500
008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION
fixed length control field 240322b |||||||| |||| 00| 0 eng d
082 ## - DEWEY DECIMAL CLASSIFICATION NUMBER
Classification number 572
Item number SIN
100 ## - MAIN ENTRY--PERSONAL NAME
Personal name Singh, Kushal
245 ## - TITLE STATEMENT
Title An Exploration of Molecular Recognition Mechanisms and Ligand Induced Transitions in Biomolecules
260 ## - PUBLICATION, DISTRIBUTION, ETC. (IMPRINT)
Place of publication, distribution, etc Bangalore:
Name of publisher, distributor, etc Indian Institute of Science,
Date of publication, distribution, etc 2023.
300 ## - PHYSICAL DESCRIPTION
Extent xiv, 252p.:
Other physical details col. ill.
Accompanying material e-Thesis
Size of unit 28.97Mb
500 ## - GENERAL NOTE
General note Includes bibliographical references
502 ## - DISSERTATION NOTE
Dissertation note PhD;2023;Solid State and Structural Chemistry Unit
520 ## - SUMMARY, ETC.
Summary, etc Molecular recognition refers to processes through which biological macromolecules interact with each other or other small molecules through noncovalent interactions to form specific complexes. Applying molecular recognition principles can aid in developing new drugs, particularly new antimicrobial drugs. Drug development also requires considering the effects of physicochemical factors ( ionic environment, temperature, pressure, co-solvents, and pH) on biomolecular folding and cognate ligand binding mechanisms. Therefore, a detailed understanding of the target–ligand interactions is central to understanding biology at the molecular level. In this thesis, using molecular dynamics simulations, I will be discussing the molecular mechanisms by which non-coding RNA molecules (riboswitches) sense their cognate ligands. I will also be discussing the role of biomolecular excited states on the ligand binding mechanisms of riboswitches. Furthermore, I will discuss the role of physico-chemical factors, namely pH, on the binding kinetics of a target-ligand complex. Finally, I will discuss how mutations in biomolecules can be used to trigger the same response generated by ligand binding.
650 ## - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name as entry element Proteins
650 ## - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name as entry element Riboswitches
650 ## - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name as entry element Ligand Binding
700 ## - ADDED ENTRY--PERSONAL NAME
Personal name Adivesd by Reddy, Govardhan
856 ## - ELECTRONIC LOCATION AND ACCESS
Uniform Resource Identifier https://etd.iisc.ac.in/handle/2005/6451
942 ## - ADDED ENTRY ELEMENTS (KOHA)
Koha item type Thesis

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