Browsing by Department "Enstitüler, Lisansüstü Eğitim Enstitüsü, Hesaplamalı Bilimler ve Mühendislik Ana Bilim Dalı"
Now showing items 1-13 of 13
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Concurrent impact of various prospective drug ligand molecules on different illness
(Kadir Has Üniversitesi, 2013)in this thesis work we have performed binding energy computation studies of various prospective drug molecules with various proteins. Our aim in performing such studies was to observe the possible concurrent effects of ... -
Designing inhibitors via molecular modelling methods for monoamine oxidase isozymes a and b
(Kadir Has Üniversitesi, 2012)in drug development studies a large number of new drug candidates (leads)have to be synthesized and optimized by changing several moieties of the leads in order to increase efficacies and decrease toxicities. Each synthesis ... -
Docking study of resveratrol like molecules on histone deacetylase
(Kadir Has Üniversitesi, 2016)The modulation of histone acetylation plays a pivotal role in the regulation of gene expression by governing the state of lysine residues located on the amino – terminal tails of histone proteins. A dynamic balance of ... -
Generalized synchronization: Master-slave relationship in three coupled systems
(Kadir Has Üniversitesi, 2022-06)Synchronization is an important phenomenon for complex, biological, and physical systems such as the brain, i.e., Parkinson’s disease, heart beating, hand-clapping, power grids, lasers, and many others. Intuitively, we can ... -
In silico design of selective monoamine Oxidase B inhibitors using indane ring
(Kadir Has Üniversitesi, 2013)in the present work 209952 analogs of an indane scaffold were created using various fragment moieties at different position of indane ring. CHEMPLP module of GOLD program is utilized in the screening process. in order to ... -
In Silico Inhibitor Design For Monomine Oxidase A And B Isozymes
(Kadir Has Üniversitesi, 2012)in this thesis study MAO-A and MAO-B isozymes are selected as target enzymes that have important role of regulation of diseases such as ..Parkinson Alzheimer and depression... MAO isozymes which catalyze the oxidation of ... -
Loop modeling and molecular dynamics simulations of apo and ligand-bound human glun1-hlun2A nmda type receptors
(Kadir Has Üniversitesi, 2017)N-Methyl-D-Aspartate receptors (NMDARs) are glutamate-gated ion channels found in the nerve cell membranes. The functioning of the receptor is of crucial importance in consciousness and normal brain functions. As a result ... -
Molacilar Dynamics Studies oh human dat and its natural ligand dopamine
(Kadir Has Üniversitesi, 2012)The dopamine transporter (DAT) which is a member of Neurotransmitter sodium symporters (NSSs) family takes place in dopaminergic neurotransmission. Therefore it is a major molecular target for numerous drugs including the ... -
Network reconstruction from data
(Kadir Has Üniversitesi, 2023)Güç şebekeleri, ekosistem, iklim, nöron ağları ve bir hastalığın küresel ölçekte yayılması gibi hayatımızın temel bileşenlerinin bir ortak noktası vardır: karmaşık ağlar üzerinde etkileşen dinamik birimler olarak ... -
Pharmacophore- based screening and docking for the discovery of novel antagonists of Beta-2 adrenergic receptor
(Kadir Has Üniversitesi, 2013)ß2AR which is the member of rhodopsin-like GPCR is the target system for the discovery of novel antagonists using structure-based pharmacophore modeling and docking methods. initially a shared pharmacophore model is obtained ... -
Sonsuz Uzay : Invisible woman in the man's world
(Kadir Has Üniversitesi, 2017)Bu tezde başlangıç noktam, feminist film teorisyenlerinin kadının sinemada nasıl temsil edildiği ve kadın hakları gerçekliğinin filmlere nasıl yansıtıldığıyla ilgili çalışmaları oldu. Buradan hareketle tezimde, geçmiş ... -
Structural study of gaba type a receptor : the effect of intrasubunit disulphide bridges on dynamics
(Kadir Has Üniversitesi, 2014)In the mammalian brain the gamma-aminobutyric acid type A receptor is the most commonly expressed subtype of receptor family. Although there is a rich pharmacological activity of R, specific molecular features are still ... -
Structure Prediction of TB RPOB and its Mutations Binding Analysis
(Kadir Has Üniversitesi, 2012)--Today Tuberculosis is a disease that is still a high-risk categories. Rifampicin is a drug that.s used common in the treatment of TB. We know that the effect of this drug in the region of RNA polymerase on TB. Unfortunately ...