Craig Bayse
Old Dominion University
Appearances
DateAugust 23, 2021Wiberg bond and natural bond orbital analyses were used to examine the effect of strain on trigger bonds in organic-cage-based energetic molecules…Presenter
Speaker
Old Dominion University
DateAugust 25, 2021Antimicrobial peptides (AMPs) including piscidins have been widely investigated as potential therapeutics for antibiotic-resistant infections. Piscidins are host defense peptides from fish that efficiently kill bacteria by targeting their membranes…Presenter
Old Dominion UniversitySpeakers
Old Dominion University
DateAugust 22, 2021Deiodination by iodothyronine deiodinases (Dios) is essential to maintain thyroid hormone (TH) homeostasis. Polybrominated diphenyl ethers (PBDEs) and polychlorinated biphenyls (PCBs) are known endocrine disruptors…Presenter
Speaker
Old Dominion University- DateAugust 22, 2021Dithiazoles and thiaselenazoles have been shown to inhibit the feline immunodeficiency virus nucleocapsid protein. A series of density functional theory calculations has been performed on donor–acceptor complexes between these inhibitors and models of the Cys3His Zn-binding site…
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DateAugust 24, 2021Density functional theory calculations were performed on a series of azo-based energetic materials to identiy the potential trigger bond, defined as a weakened bond that breaks to initiate explosive decomposition…Presenter
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- Division/Committee: [INOR] Division of Inorganic Chemistry
Organizer
Professor of Chemisrtry, SUNY Stony BrookPresiders
Old Dominion UniversityWorcester Polytechnic InstituteWorcester Polytechnic InstituteUniversity of California Davis - Antimicrobial peptides (AMPs) are short, typically cationic peptides with promise as supplements to immune response. Piscidins, α-helical AMPs found in fish mast cells, efficiently kill bacteria by permeating and weakening the membrane in a concentration-dependent manner…
Speaker
Old Dominion UniversityPresenter
Old Dominion University - : [COMP] Division of Computers in Chemistry
Speakers
University of South FloridaAssociate Professor, Messiah CollegeIndiana Univ Purdue Univ IndianapolisUniversity of KentuckyAssociate Professor of Chemistry, University of KentuckyBrooklyn CollegeUniversity of PittsburghUniversity of Texas at El Paso University Research InstituteGeorgia Institute of TechnologyGeorgia Institute of TechPhD student, Carnegie Mellon UniversityPhD Student, Carnegie Mellon UniversityCarnegie Mellon UniversityUniversity of AkronAssociate Professor of Chemistry, Missouri State UniversityRutgers The State University of New JerseyResearch Scientist, Lawrence Berkeley National LaboratoryE O Lawrence Berkeley National LaboratoryAssistant Professor, Massachusetts Institute of TechnologyRutgers UniversityGraduate Student, University of Minnesota Twin CitiesUC BerkeleyUC BerkeleyPostdoctoral Associate, University of MinnesotaUniversity of MinnesotaMassachusetts Institute of TechnologyThe University of Texas at DallasWayne State UniversityCatalytic principles from natural enzymes for design of synthetic catalystsUniversity of MissouriUniversity of California San DiegoPostdoctoral Research Scholar, University of California, San DiegoUniversity of California, San DiegoRice UniversityGraduate Student, University of VictoriaUniversity of MarylandProfessor, Uppsala UniversityRheinisch Westfalische Technische Hochschule Aachen Fakultat fur Mathematik Informatik und NaturwissenschaftenHead of Lab Linked Scientific Knowledge, Technische InformationsbibliothekCalifornia Institute of TechnologyUniversity of California RiversideUniversity of CaliforniaGraduate Student, Rutgers UniversityUniv of Ontario Inst of TechSchrodinger IncMathew D. Halls, Ph.D.Senior Vice President, Materials Science, Schrödinger, Inc.Assistant Professor, Missouri State UniversityAssociate Professor, University of KansasPh.D. Student, Massachusetts Institute of TechnologyStony Brook UniversityCarlos Simmerling, PhDProfessor, SUNY Stony BrookProfessor, Indian Institute of Technology KharagpurAssociate Professor, Western University of Health SciencesAssociate Professor of Chemistry, Centenary UniversityPhD Student, Indian Institute of Technology JammuPennsylvania State UnivTexas A&M UniversityNationwide Children's HospitalUniv. of Maryland, PharmacyUniversity of PittsburghUniv of North CarolinaAssistant Professor, Eastern Illinois UniversityUniversity of Texas at DallasBrown UnivUniversity of South FloridaThe University of OklahomaUniversity of Kentucky College of Arts and SciencesChemistry Graduate Student, University of IowaUniversity of IowaThe University of MississippiPurdue UniversityAssistant Professor, University of FindlayAssociate Professor of Chemistry, University of FindlayJohns Hopkins UniversityJohns Hopkins UniversityUniversity of Illinois at Urbana-ChampaignUniversity of MinnesotaThe University of MemphisApplication Scientist, OptibriumLafayette CollegeIndian Institute of Technology DelhiUniversity of Wisconsin-Eau ClaireComputational Scientist, Pacific Nortwest National LaboratoryGraduate Student Researcher, University of California San DiegoUniversity of PittsburghMichigan State UniversityArgonne National LaboratoryMichigan State UniversityPostdoctoral Research Scholar, Michigan State UniversityMichigan State UniversityStaff Scientist, Sandia National LabsArizona State UniversityProfessor, Haverford CollegeNorth Dakota State UniversityAssociate Professor, North Dakota State UniversityPennsylvania State UniversityTexas A&M UnivIndiana UnivOld Dominion UniversityNorth Dakota State UniversityAssistant Professor, University of South Carolina SystemFlorida Gulf Coast UniversityAssociate Professor, Texas A&M University SystemSyracuse UniversityAssistant Professor, Oakland UniversityNorth Carolina State University - : [ENFL] Division of Energy and Fuels
Speakers
Michigan Technological UniversityUniversity of LouisvilleWichita State UniversityThe University of ArizonaGraduate student (PhD candidate), University of KentuckyOld Dominion University - : [COMP] Division of Computers in Chemistry
Speakers
University of South FloridaAssociate Professor, Messiah CollegeIndiana Univ Purdue Univ IndianapolisUniversity of KentuckyAssociate Professor of Chemistry, University of KentuckyBrooklyn CollegeUniversity of PittsburghUniversity of Texas at El Paso University Research InstituteGeorgia Institute of TechnologyGeorgia Institute of TechPhD student, Carnegie Mellon UniversityPhD Student, Carnegie Mellon UniversityCarnegie Mellon UniversityUniversity of AkronAssociate Professor of Chemistry, Missouri State UniversityRutgers The State University of New JerseyResearch Scientist, Lawrence Berkeley National LaboratoryE O Lawrence Berkeley National LaboratoryAssistant Professor, Massachusetts Institute of TechnologyRutgers UniversityGraduate Student, University of Minnesota Twin CitiesUC BerkeleyUC BerkeleyPostdoctoral Associate, University of MinnesotaUniversity of MinnesotaMassachusetts Institute of TechnologyThe University of Texas at DallasWayne State UniversityCatalytic principles from natural enzymes for design of synthetic catalystsUniversity of MissouriUniversity of California San DiegoPostdoctoral Research Scholar, University of California, San DiegoUniversity of California, San DiegoRice UniversityGraduate Student, University of VictoriaUniversity of MarylandProfessor, Uppsala UniversityRheinisch Westfalische Technische Hochschule Aachen Fakultat fur Mathematik Informatik und NaturwissenschaftenHead of Lab Linked Scientific Knowledge, Technische InformationsbibliothekCalifornia Institute of TechnologyUniversity of California RiversideUniversity of CaliforniaGraduate Student, Rutgers UniversityUniv of Ontario Inst of TechSchrodinger IncMathew D. Halls, Ph.D.Senior Vice President, Materials Science, Schrödinger, Inc.Assistant Professor, Missouri State UniversityAssociate Professor, University of KansasPh.D. Student, Massachusetts Institute of TechnologyStony Brook UniversityCarlos Simmerling, PhDProfessor, SUNY Stony BrookProfessor, Indian Institute of Technology KharagpurAssociate Professor, Western University of Health SciencesAssociate Professor of Chemistry, Centenary UniversityPhD Student, Indian Institute of Technology JammuPennsylvania State UnivTexas A&M UniversityNationwide Children's HospitalUniv. of Maryland, PharmacyUniversity of PittsburghUniv of North CarolinaAssistant Professor, Eastern Illinois UniversityUniversity of Texas at DallasBrown UnivUniversity of South FloridaThe University of OklahomaUniversity of Kentucky College of Arts and SciencesChemistry Graduate Student, University of IowaUniversity of IowaThe University of MississippiPurdue UniversityAssistant Professor, University of FindlayAssociate Professor of Chemistry, University of FindlayJohns Hopkins UniversityJohns Hopkins UniversityUniversity of Illinois at Urbana-ChampaignUniversity of MinnesotaThe University of MemphisApplication Scientist, OptibriumLafayette CollegeIndian Institute of Technology DelhiUniversity of Wisconsin-Eau ClaireComputational Scientist, Pacific Nortwest National LaboratoryGraduate Student Researcher, University of California San DiegoUniversity of PittsburghMichigan State UniversityArgonne National LaboratoryMichigan State UniversityPostdoctoral Research Scholar, Michigan State UniversityMichigan State UniversityStaff Scientist, Sandia National LabsArizona State UniversityProfessor, Haverford CollegeNorth Dakota State UniversityAssociate Professor, North Dakota State UniversityPennsylvania State UniversityTexas A&M UnivIndiana UnivOld Dominion UniversityNorth Dakota State UniversityAssistant Professor, University of South Carolina SystemFlorida Gulf Coast UniversityAssociate Professor, Texas A&M University SystemSyracuse UniversityAssistant Professor, Oakland UniversityNorth Carolina State University - : [ENFL] Division of Energy and Fuels
Speakers
Michigan Technological UniversityUniversity of LouisvilleWichita State UniversityThe University of ArizonaGraduate student (PhD candidate), University of KentuckyOld Dominion University - DateMarch 28, 2023High energy density materials (HEDMs) used in ordinance, mining and pyrotechnics generally lack sufficent oxygen for the complete combustion resulting in the release of toxic by-products. As a result, there is a strong interest in developing new, "green" materials for less impact on the environment…
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- DateMarch 27, 2023Recent advances with organic solar cells (OSCs) consisting of small organic “acceptor” molecules and conductive “donor” polymers are solution-processable, lighter weight, and easily functionalized…
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- DateMarch 29, 2023DIVISION/COMMITTEE: [INOR] Division of Inorganic Chemistry
Organizer
Professor of Chemisrtry, SUNY Stony BrookPresiders
Old Dominion UniversityWorcester Polytechnic InstituteUniversity of California Davis - DateMarch 29, 2023Antimicrobial peptides (AMPs) are short, typically cationic peptides with promise as supplements to immune response. Piscidins, α-helical AMPs found in fish mast cells, efficiently kill bacteria by permeating and weakening the membrane in a concentration-dependent manner…
Speaker
Old Dominion UniversityPresenter
Old Dominion University - DateMarch 17, 2024Blends of small organic "acceptors" molecules and conductive "donor" polymers have led to the design of organic solar cell (OSCs) layers that are solution-processable, lighter weight, and easily functionalized…
Presenter
Old Dominion University - DateAugust 21, 2024Breast cancer has the highest incidence and mortality rate for women in the world. 70% of breast tumors are estrogen receptor alpha (ERα)-positive. The overexpression of ERα induces tumor growth, making ERα a target for breast cancer treatment…
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Old Dominion University - DateMarch 25, 2025Ewing Sarcoma (ES) is a highly aggressive form of bone and soft tissue cancer primarily effecting children and young adults. Although treatments such as surgery, chemotherapy, and radiation are available, the prognosis for metastatic patients is below 20%…
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Co-Authors
Old Dominion University - DateMarch 25, 2025High energy density materials are challenging to analyze due to their sensitivity to impact, friction, and other stimuli. Computational chemistry techniques allow for these materials to be studied without hazard to equipment or personnel…
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- DateMarch 25, 2025Ammonium nitrate (AN) is a common additive in fertilizers. Despite that unassuming use, it is also a common high energy density material that has been responsible for many explosions throughout its 300-year history…
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Co-Author
Old Dominion University - DateMarch 24, 2025High energy density materials are challenging to analyze due to their sensitivity to impact, friction, and other stimuli. Computational chemistry techniques allow for these materials to be studied without hazard to equipment or personnel…
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