{"id":{"repo_id":"wfu","oai_identifier":"oai:wakespace.lib.wfu.edu:10339/57133"},"canonical_url":"https://search.dev.ndltd.org/etd/wfu/oai:wakespace.lib.wfu.edu:10339/57133","repository":{"repo_id":"wfu","name":"Wake Forest University","base_url":"https://wakespace.lib.wfu.edu/oai/request"},"display":{"title":"Molecular Dynamic Simulation of Bio-molecular Dynamics, Folding, and Assembly","abstract":"A major goal in ​molecular ​biophysics is to understand how biomolecules fold into specific structures to carry out ​cellular processes to result in a functioning organism. ​Computational molecular dynamics (MD) simulations can characterize biomolecules at a microscopic level. These indispensable tools use classical mechanical approaches to describe biomolecular dynamics, folding, and binding mechanisms. Although there are many different types of MD simulations, I will focus on two classes of approaches: empirical force field and coarse-grained native structure based ones. In the present thesis, I will discuss recent MD simulation studies of RNA, protein-RNA, and protein-nanoparticle interactions with direct comparisons to experiments whenever possible to validate our approaches.","abstract_html":"A major goal in ​molecular ​biophysics is to understand how biomolecules fold into specific structures to carry out ​cellular processes to result in a functioning organism. ​Computational molecular dynamics (MD) simulations can characterize biomolecules at a microscopic level. These indispensable tools use classical mechanical approaches to describe biomolecular dynamics, folding, and binding mechanisms. Although there are many different types of MD simulations, I will focus on two classes of approaches: empirical force field and coarse-grained native structure based ones. In the present thesis, I will discuss recent MD simulation studies of RNA, protein-RNA, and protein-nanoparticle interactions with direct comparisons to experiments whenever possible to validate our approaches.","abstract_has_math":false,"creators":["Li, Rongzhong"],"institution":"Wake Forest University","degree_name":null,"degree_level":null,"degree_discipline":null,"degree_department":null,"school":null,"contributors":[],"advisors":[],"committee_chairs":[],"committee_members":[],"year":2015,"date_issued":"2015","date_published":"2015","updated_at":"2026-07-27T22:01:52Z","subjects":["interaction"],"languages":["en"],"rights":[],"rights_urls":[],"identifier_entries":[]},"links":{"outbound_url":"http://hdl.handle.net/10339/57133","outbound_label":"Handle","outbound_source":"dc:identifier.uri"},"metadata_groups":[{"id":"people","label":"People","entries":[{"key":"dc:creator","label":"Author","values":["Li, Rongzhong"]}]},{"id":"academic_context","label":"Academic Context","entries":[{"key":"dc:date.accessioned","label":"Dc Date Accessioned","values":["2015-06-23T08:35:49Z"]},{"key":"dc:date.available","label":"Dc Date Available","values":["2015-06-23T08:35:49Z"]},{"key":"dc:date.issued","label":"Date","values":["2015"]},{"key":"dc:publisher","label":"Institution","values":["Wake Forest University"]},{"key":"dc:type","label":"Dc Type","values":["Dissertation"]}]},{"id":"subjects_keywords","label":"Subjects and Keywords","entries":[{"key":"dc:subject","label":"Dc Subject","values":["interaction"]}]},{"id":"language_rights","label":"Language and Rights","entries":[{"key":"dc:language.iso","label":"Language (ISO)","values":["en"]}]},{"id":"identifiers","label":"Identifiers","entries":[{"key":"dc:identifier.uri","label":"Identifier URI","values":["http://hdl.handle.net/10339/57133"]}]},{"id":"additional","label":"Additional Metadata","entries":[{"key":"dc:description.abstract","label":"Abstract","values":["A major goal in ​molecular ​biophysics is to understand how biomolecules fold into specific structures to carry out ​cellular processes to result in a functioning organism. ​Computational molecular dynamics (MD) simulations can characterize biomolecules at a microscopic level. These indispensable tools use classical mechanical approaches to describe biomolecular dynamics, folding, and binding mechanisms. Although there are many different types of MD simulations, I will focus on two classes of approaches: empirical force field and coarse-grained native structure based ones. In the present thesis, I will discuss recent MD simulation studies of RNA, protein-RNA, and protein-nanoparticle interactions with direct comparisons to experiments whenever possible to validate our approaches."]},{"key":"dc:title","label":"Title","values":["Molecular Dynamic Simulation of Bio-molecular Dynamics, Folding, and Assembly"]}]}],"canonical_facts":{"dc:creator":["Li, Rongzhong"],"dc:date.accessioned":["2015-06-23T08:35:49Z"],"dc:date.available":["2015-06-23T08:35:49Z"],"dc:date.issued":["2015"],"dc:description.abstract":["A major goal in ​molecular ​biophysics is to understand how biomolecules fold into specific structures to carry out ​cellular processes to result in a functioning organism. ​Computational molecular dynamics (MD) simulations can characterize biomolecules at a microscopic level. These indispensable tools use classical mechanical approaches to describe biomolecular dynamics, folding, and binding mechanisms. Although there are many different types of MD simulations, I will focus on two classes of approaches: empirical force field and coarse-grained native structure based ones. In the present thesis, I will discuss recent MD simulation studies of RNA, protein-RNA, and protein-nanoparticle interactions with direct comparisons to experiments whenever possible to validate our approaches."],"dc:identifier.uri":["http://hdl.handle.net/10339/57133"],"dc:language.iso":["en"],"dc:publisher":["Wake Forest University"],"dc:subject":["interaction"],"dc:title":["Molecular Dynamic Simulation of Bio-molecular Dynamics, Folding, and Assembly"],"dc:type":["Dissertation"]},"updated_at":"2026-07-27T22:01:52Z"}