Andrew D. McNaughton
Computational Scientist, Pacific Nortwest National Laboratory
Appearances
SESSION: CURRENT TOPICS IN BIOLOGICAL CHEMISTRY:Presenter
Computational Scientist, Pacific Nortwest National LaboratorySpeakers
Senior Scientist
SESSION: COMP POSTER SESSION:Presenter
Speakers
Computational Scientist, Pacific Nortwest National Laboratory- Efficient design and discovery of target-driven molecules is a critical step in facilitating lead optimization in drug discovery…
Presenters
Computational Scientist, Pacific Nortwest National LaboratorySpeakers
- With the recent adoption of state-of-the-art machine learning methods for the determination of 3D protein structure, there is a need for high-throughput methods for the determination of previously unknown protein function…
Presenter
Computational Scientist, Pacific Nortwest National Laboratory - With the recent adoption of state-of-the-art machine learning methods for the determination of 3D protein structure, there is a need for high-throughput methods for the determination of previously unknown protein function…
Speakers
Computational Scientist, Pacific Nortwest National Laboratory - : [BIOL] Division of Biological Chemistry
Speakers
University of FloridaNC State UniversityComputational Scientist, Pacific Nortwest National LaboratoryFranklin John, Associate ProfessorDesign and synthesis of ultrasensitive SERS imaging probes in biologically Raman silent region, Department of Chemistry, Sacred Heart College,Kochi,India - With the recent adoption of state-of-the-art machine learning methods for the determination of 3D protein structure, there is a need for high-throughput methods for the determination of previously unknown protein function…
Speakers
Computational Scientist, Pacific Nortwest National Laboratory - : [BIOL] Division of Biological Chemistry
Speakers
University of FloridaNC State UniversityComputational Scientist, Pacific Nortwest National LaboratoryFranklin John, Associate ProfessorDesign and synthesis of ultrasensitive SERS imaging probes in biologically Raman silent region, Department of Chemistry, Sacred Heart College,Kochi,India - With the recent adoption of state-of-the-art machine learning methods for the determination of 3D protein structure, there is a need for high-throughput methods for the determination of previously unknown protein function…
Speakers
Computational Scientist, Pacific Nortwest National Laboratory - : [BIOL] Division of Biological Chemistry
Speakers
University of FloridaNC State UniversityComputational Scientist, Pacific Nortwest National LaboratoryFranklin John, Associate ProfessorDesign and synthesis of ultrasensitive SERS imaging probes in biologically Raman silent region, Department of Chemistry, Sacred Heart College,Kochi,India - Efficient design and discovery of target-driven molecules is a critical step in facilitating lead optimization in drug discovery…
Speakers
Computational Scientist, Pacific Nortwest National Laboratory - : [COMP] Division of Computers in Chemistry
Speakers
Michigan State UniversityUniversity of PittsburghApplication Scientist, Iktos IncResearch Staff, Oak Ridge National LaboratoryComputational Scientist, Pacific Nortwest National LaboratoryJacob D. Durrant, PhDAssociate Professor, University of Pittsburgh - : [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 - With the recent adoption of state-of-the-art machine learning methods for the determination of 3D protein structure, there is a need for high-throughput methods for the determination of previously unknown protein function…
Speakers
Computational Scientist, Pacific Nortwest National Laboratory - : [BIOL] Division of Biological Chemistry
Speakers
University of FloridaNC State UniversityComputational Scientist, Pacific Nortwest National LaboratoryFranklin John, Associate ProfessorDesign and synthesis of ultrasensitive SERS imaging probes in biologically Raman silent region, Department of Chemistry, Sacred Heart College,Kochi,India - Efficient design and discovery of target-driven molecules is a critical step in facilitating lead optimization in drug discovery…
Speakers
Computational Scientist, Pacific Nortwest National Laboratory - : [COMP] Division of Computers in Chemistry
Speakers
Michigan State UniversityUniversity of PittsburghApplication Scientist, Iktos IncResearch Staff, Oak Ridge National LaboratoryComputational Scientist, Pacific Nortwest National LaboratoryJacob D. Durrant, PhDAssociate Professor, University of Pittsburgh - : [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 - DateMarch 28, 2023With the recent adoption of state-of-the-art machine learning methods for the determination of 3D protein structure, there is a need for high-throughput methods for the determination of previously unknown protein function…
Presenter
Computational Scientist, Pacific Nortwest National Laboratory - DateMarch 29, 2023Efficient design and discovery of target-driven molecules is a critical step in facilitating lead optimization in drug discovery…
Presenters
Computational Scientist, Pacific Nortwest National LaboratorySpeakers
- DateMarch 28, 2023Multiparameter optimization (MPO) provide a means to assess and balance several variables based on importance to the overall objective. However, using MPO methods in therapeutic discovery is challenging due to the number of cheminformatics properties required to find an optimal solution…
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Computational Scientist, Pacific Nortwest National Laboratory - DateAugust 16, 2023Multiparameter optimization (MPO) provides a means to assess and balance several variables based on their importance to the overall objective. Similarly, therapeutic discovery requires designing molecules with a desired balance of physiochemical features…
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Computational Scientist, Pacific Nortwest National Laboratory - DateAugust 21, 2024The role of large language models (LLMs) in everyday life expands, their potential to streamline the scientific workflow, especially in tasks that are traditionally time-consuming, becomes increasingly evident…
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Computational Scientist, Pacific Nortwest National Laboratory - DateAugust 22, 2024The complexity and prevalence of cancer offer vast prospects for computational investigation and progress…
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Computational Scientist, Pacific Nortwest National LaboratoryPresenters
