eprintid: 1476230 rev_number: 17 eprint_status: archive userid: 608 dir: disk0/01/47/62/30 datestamp: 2016-05-06 07:16:21 lastmod: 2019-10-17 09:24:32 status_changed: 2016-05-06 07:16:21 type: thesis metadata_visibility: show creators_name: Bem, MA title: Towards an understanding of the molecular dynamic causes of resistance in the HIV-1 Integrase ispublished: unpub divisions: A01 divisions: B04 divisions: C06 divisions: F56 abstract: This work endeavours to explain molecular dynamic causes of resistance in Human Immunodeficiency Virus (HIV) Integrase through simulation of Prototype Foamy Virus (PFV) Intergrase interaction with DNA in the presence of Raltegravir (RLT) for the purpose of efficient and automatic drug ranking of Integrase inhibitors. Chapter One introduces the problem of Acquired Immunodeficiency Syndrome (AIDS) through both historical perspective and current situation by some crude analysis of geographical and social distribution. Similarly HIV is introduced both as a biological species and biochemical system with particular focus on Integrase, one of its essential protein enzymes. Chapter Two contains methods of Molecular Dynamics which are used extensively throughout this thesis (Chapters Four to Six), as well as some scientific background to those methods. Chapter Three describes efforts towards generating viable structure of HIV Integrase intasome for the purpose of Molecular Dynamic analyses. Methods of homology modelling are employed using known homologues of HIV Integrase as input data. The remaining parts of this thesis are made up of three experimental chapters describing Molecular Dynamic simulations of several biochemical systems and their analyses. date: 2016-04-28 date_type: published oa_status: green full_text_type: other thesis_class: doctoral_open thesis_view: UCL_Thesis primo: open primo_central: open_green verified: verified_manual elements_id: 1116765 language_elements: English lyricists_name: Bem, Milo lyricists_id: MCWIO86 actors_name: Bem, Milo actors_name: Mackay, Naomi actors_id: MCWIO86 actors_id: NSDMA44 actors_role: owner actors_role: impersonator full_text_status: public pages: 119 event_title: UCL (University College London) institution: UCL (University College London) department: Chemistry thesis_type: Doctoral citation: Bem, MA; (2016) Towards an understanding of the molecular dynamic causes of resistance in the HIV-1 Integrase. Doctoral thesis , UCL (University College London). Green open access document_url: https://discovery.ucl.ac.uk/id/eprint/1476230/1/Bem_Milo-20160221.pdf