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    Computational Chemistry

    Computational Chemistry: a branch of chemistry that uses computer simulation to assist in solving chemical problems. It uses methods of theoretical chemistry, incorporated into efficient computer programs, to calculate the structures and properties of molecules and solids.

    Webinars

    • OCT 21, 2020 | 12:00 AM
      Developing a Complete Workflow Including N-Linked Glycans Analysis for Monoclonal Antibodies with High Resolution Mass Spectrometry and Fluorescence Detection
      Developing a Complete Workflow Including N-Linked Glycans Analysis...
      Accurate characterization of monoclonal antibodies is essential to development of biotherapeutics. Thorough understanding of biotherapeutic properties aids in the optimization of bioprocess...
      Speaker: Brian Domanski
      Presented at: Analytical Chemistry & Separation Sciences Virtual Event Series 2020
      1
      OCT 21, 2020 | 12:00 AM
      Overcoming the challenges of pesticide detection in food: Integrated workflow solutions to screen and confirm multi-residue contaminants
      Overcoming the challenges of pesticide detection in food: Integrated...
      Pesticides are routinely applied to crops to prevent or control pests and are therefore routinely tested for the presence of pesticide residues and to check for compliance with permitted Max...
      Speaker: Scott M. Peterman, PhD
      Presented at: Analytical Chemistry & Separation Sciences Virtual Event Series 2020
      1
      OCT 21, 2020 | 12:00 AM
      Cannabis Testing labs; Quality Control and Standardization
      Cannabis Testing labs; Quality Control and Standardization
      Cannabis testing laboratories play a pivotal role in the multidimensional cannabis industry. Production companies to the consumers, whole cannabis community rely on the analytical results pr...
      Speaker: Niranjan Aryal, PhD
      Presented at: Analytical Chemistry & Separation Sciences Virtual Event Series 2020
      1
      OCT 21, 2020 | 12:00 AM
      Automated consistency analysis of metabolomic and proteomic data in interlaboratory studies
      Automated consistency analysis of metabolomic and proteomic data...
      As ‘omics research advances, separations data such as chromatograms and nuclear magnetic resonance (NMR) spectra are being used as direct inputs to machine-learning algorithms ranging...
      Speaker: Dr. David A. Sheen
      Presented at: Analytical Chemistry & Separation Sciences Virtual Event Series 2020
      1
      SEP 23, 2020 | 12:00 AM
      Deep learning to integrate histology with spatial transcriptomics
      Deep learning to integrate histology with spatial transcriptomics
      I will present our new computer vision algorithm, ST-Net, which can computationally synthesize spatially resolved transcriptomics directly from H&E histology images (He et al. Nature Bio...
      Speaker: James Zou
      Presented at: Cell Biology Virtual Event Series 2020
      1
      SEP 17, 2020 | 3:30 PM
      Discovery of a druggable pocket in SARS-CoV-2 Spike: New avenue to defeat COVID-19?
      Discovery of a druggable pocket in SARS-CoV-2 Spike: New avenue...
      COVID-19 has developed into a crisis of global proportions. COVID-19 is caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). Key to SARS-CoV-2 therapeutic development is u...
      Speaker: Imre Berger
      Presented at: Coronavirus Series
      Sponsored By: GenScript
      2
      SEP 03, 2020 | 9:00 AM
      The Complexities of SV Analytical Ultracentrifugation: AAVs are not Simple, Binary Systems
      The Complexities of SV Analytical Ultracentrifugation: AAVs are...
      DATE: September 3, 2020 TIME: 09:00am PT, 12:00pm ET xxx Learning Objectives: xxx Webinars will be available for unlimited on-demand viewing after live event. LabRoots is approved as a provi...
      Speaker: Dr. Lake Paul
      Sponsored By: Beckman Coulter Life Sciences
      12
      AUG 06, 2020 | 10:00 AM
      Part III: Exploring the inhibition of Alk2 kinase and dimerization of EGFR kinase
      Part III: Exploring the inhibition of Alk2 kinase and dimerization...
      One of the most common pathologically relevant mutated variants of ALK-2 (activin receptor-like kinase-2) has a point mutation (R206H) in its Ser/Thr kinase domain that promotes uncontrolled...
      Speaker: Kumar Ashtekar, PhD
      Presented at: 2020 Beckman Symposium
      1
      AUG 06, 2020 | 12:00 AM
      Carbon dioxide utilization in plastic production: Development of a nickel catalyst
      Carbon dioxide utilization in plastic production: Development...
      Carbon dioxide emissions, known to exacerbate climate change, have been increasing rapidly over the past century. One strategy to alleviate this issue is carbon capture and utilization (CCU)...
      Speaker: Vennela Mannava
      Presented at: 2020 Beckman Symposium
      1
      JUL 15, 2020 | 9:00 AM
      Calidad Más Allá de las Cifras
      Calidad Más Allá de las Cifras
      DATE: 15 Julio 2020 TIME: 11:00 COT, 09:00am PDT En esta conferencia tratamos de explorar el concepto profundo, holístico y existencial de la calidad , mucho más allá de...
      Speaker: Esteban Echavarría, MD
      Sponsored By: Abbott
      9 1
      JUN 17, 2020 | 1:30 PM
      Insights into the Pathogenesis of COVID-19 as Revealed by Spatial Biology
      Insights into the Pathogenesis of COVID-19 as Revealed by Spatial...
      Understanding the complex interplay between a pathogen and the host response is important to developing effective vaccines and therapeutics. The nCounter® Analysis System and GeoMx®...
      Speaker: Joseph M. Beechem, PhD , Christopher E. Mason, PhD , Robert Schwartz, PhD
      Presented at: Coronavirus Series
      Sponsored By: NanoString Technologies
      9
      JUN 16, 2020 | 8:00 AM
      Measuring molecular interactions by multi-wavelength analytical ultracentrifugation
      Measuring molecular interactions by multi-wavelength analytical...
      DATE: June 16, 2020 TIME: 8:00am PT Multi-wavelength analysis of hydrodynamic data collected on the latest analytical ultracentrifugation instruments provides additional resolution and insig...
      Speaker: Borries Demeler, PhD
      Sponsored By: Beckman Coulter Life Sciences
      22 1
      MAY 20, 2020 | 12:00 AM
      Gene-editing by a "click-of-a-button"
      Gene-editing by a "click-of-a-button"
      If you have ever worked in the field of gene-editing, then you must know the powerful gene-editing technology known as CRISPR. It has the potential to alter science and biotechnology at an i...
      Speaker: Steve Shih, PhD
      Presented at: Laboratory Automation & Informatics Virtual Event Series 2020
      1
      MAY 20, 2020 | 12:00 AM
      Comprehensive Genomic Association Data for Genetic Variant Interpretation: A Computational Approach
      Comprehensive Genomic Association Data for Genetic Variant Interpretation:...
      Design and interpretation of genome sequencing assays and data in both clinical diagnostics and research labs is complicated by an inability to identify information from the medical literatu...
      Speaker: Mark Kiel, MD, PhD
      Presented at: Laboratory Automation & Informatics Virtual Event Series 2020
      1
      MAY 20, 2020 | 12:00 AM
      Next-gen protein assays enabling precision medicine and data-driven biology
      Next-gen protein assays enabling precision medicine and data-driven...
      Proteins are the functional blocks of any biological entity from 50 nm sized viruses to the 100 ft long mammals (blue whale). They perform intra cellular, tissue, organ, system, or organism...
      Speaker: Kursad Araz, PhD
      Presented at: Laboratory Automation & Informatics Virtual Event Series 2020
      1
      MAY 14, 2020 | 12:00 AM
      Tissue Chips: Building Confidence Through Independent Experimental Testing
      Tissue Chips: Building Confidence Through Independent Experimental...
      Experimental models that promise to replace animal tests that are currently required for drugs and chemicals are rapidly proliferating. This includes a number of novel solutions offered by b...
      Speaker: Ivan Rusyn, PhD
      Presented at: Laboratory Animal Sciences Virtual Event Series 2020
      0
      MAY 06, 2020 | 12:00 AM
      Forensic Anthropology At La Línea: Advances In Computational Methods For The Identification Of The U.S.-México Border Dead.
      Forensic Anthropology At La Línea: Advances In Computational Methods...
      The ever-increasing number of deaths along the U.S.-México border and the diversification in the demographic characteristics of the Latin American migrants, who perish in this region,...
      Speaker: Bridget Algee-Hewitt, PhD
      Presented at: Forensic Sciences Virtual Event Series 2020
      2
      APR 08, 2020 | 12:00 AM
      Macroscopic Modeling of Bioreactors for Recombinant Protein Producing Pichia pastoris in Defined Medium
      Macroscopic Modeling of Bioreactors for Recombinant Protein Producing...
      Bioreactor modeling can inform understanding of cellular metabolism—including aspects of growth kinetics, productivity, media consumption, and metabolite secretion—and can be use...
      Speaker: Moo Sun Hong, MS
      Presented at: BioProcessing Virtual Event Series 2020
      2
      APR 01, 2020 | 8:00 AM
      An Introduction to Liquid Chromatography-Mass Spectrometry for the Clinical Laboratory
      An Introduction to Liquid Chromatography-Mass Spectrometry for...
      DATE: April 1, 2020 TIME: 8:00am PST The capabilities of liquid chromatography coupled to mass spectrometry make the technology a very attractive tool in clinical laboratory settings. Howeve...
      Speaker: Adam McShane, PhD, DABCC
      11 1
      MAR 17, 2020 | 7:00 AM
      Time-Resolved STED Microscopy
      Time-Resolved STED Microscopy
      DATE: March 17, 2020 TIME: 7:00am PT, 10:00am ET Introduced more than 30 years ago, stimulated emission depletion (STED) microscopy has raised to a standard and widely used method for imagin...
      Speaker: Giuseppe Vicidomini, Ph.D.
      Sponsored By: Leica Microsystems
      8
      FEB 18, 2020 | 8:00 AM
      Path Forward of Mass Spectrometry in Clinical Laboratories
      Path Forward of Mass Spectrometry in Clinical Laboratories
      DATE: February 18, 2020 TIME: 8:00am PST...
      Speaker: Amy Chan, PhD, DABCC, NRCC
      8
      JAN 15, 2020 | 10:00 AM
      Reducing Complexity and Increasing the Value of Molecular VL, STI, and Transplant Testing with Middleware
      Reducing Complexity and Increasing the Value of Molecular VL,...
      DATE: January 15, 2020 TIME: 10:00am PST Genomics, personalized medicine and cost stewardship are just a few of the forces behind the need for better management of discrete testing informati...
      Speaker: Michael D. Sutch, CPHQ (NAHQ), PMP (PMI) and MT(ASCP)
      Sponsored By: Abbott Molecular Diagnostic
      4
      JAN 01, 2020 | 6:00 AM
      Selective D4R Ligands Reveal Structure-Activity Relationships that Engender Agonist Efficacy
      Selective D4R Ligands Reveal Structure-Activity Relationships...
      The dopamine D4 receptor (D4R) is enriched in the prefrontal cortex where it plays important roles in cognition, attention, decision making and executive function. Novel D4R-selective ligand...
      Speaker: Comfort Boateng, PhD
      Presented at: Neuroscience Virtual Event Series 2020
      1
      JAN 01, 2020 | 6:00 AM
      Bridging the translational gap in rodent behavioral testing using touchscreens and the MouseBytes Open science data repository
      Bridging the translational gap in rodent behavioral testing using...
      Open Science has changed research by making data accessible and shareable, contributing to replicability to accelerate and disseminate knowledge. However, for rodent cognitive studies the av...
      Speaker: Marco A.M. Prado, Pharm, MSc, PhD
      Presented at: Neuroscience Virtual Event Series 2020
      1
    OCT 21, 2020 | 12:00 AM
    Developing a Complete Workflow Including N-Linked Glycans Analysis for Monoclonal Antibodies with High Resolution Mass Spectrometry and Fluorescence Detection
    Developing a Complete Workflow Including N-Linked Glycans Analysis...
    Accurate characterization of monoclonal antibodies is essential to development of biotherapeutics. Thorough understanding of biotherapeutic properties aids in the optimization of bioprocess...
    Speaker: Brian Domanski
    Presented at: Analytical Chemistry & Separation Sciences Virtual Event Series 2020
    1
    OCT 21, 2020 | 12:00 AM
    Overcoming the challenges of pesticide detection in food: Integrated workflow solutions to screen and confirm multi-residue contaminants
    Overcoming the challenges of pesticide detection in food: Integrated...
    Pesticides are routinely applied to crops to prevent or control pests and are therefore routinely tested for the presence of pesticide residues and to check for compliance with permitted Max...
    Speaker: Scott M. Peterman, PhD
    Presented at: Analytical Chemistry & Separation Sciences Virtual Event Series 2020
    1
    OCT 21, 2020 | 12:00 AM
    Cannabis Testing labs; Quality Control and Standardization
    Cannabis Testing labs; Quality Control and Standardization
    Cannabis testing laboratories play a pivotal role in the multidimensional cannabis industry. Production companies to the consumers, whole cannabis community rely on the analytical results pr...
    Speaker: Niranjan Aryal, PhD
    Presented at: Analytical Chemistry & Separation Sciences Virtual Event Series 2020
    1
    OCT 21, 2020 | 12:00 AM
    Automated consistency analysis of metabolomic and proteomic data in interlaboratory studies
    Automated consistency analysis of metabolomic and proteomic data...
    As ‘omics research advances, separations data such as chromatograms and nuclear magnetic resonance (NMR) spectra are being used as direct inputs to machine-learning algorithms ranging...
    Speaker: Dr. David A. Sheen
    Presented at: Analytical Chemistry & Separation Sciences Virtual Event Series 2020
    1
    SEP 23, 2020 | 12:00 AM
    Deep learning to integrate histology with spatial transcriptomics
    Deep learning to integrate histology with spatial transcriptomics
    I will present our new computer vision algorithm, ST-Net, which can computationally synthesize spatially resolved transcriptomics directly from H&E histology images (He et al. Nature Bio...
    Speaker: James Zou
    Presented at: Cell Biology Virtual Event Series 2020
    1
     
     
  • SEP 17, 2020 | 3:30 PM
    Discovery of a druggable pocket in SARS-CoV-2 Spike: New avenue to defeat COVID-19?
    Discovery of a druggable pocket in SARS-CoV-2 Spike: New avenue...
    COVID-19 has developed into a crisis of global proportions. COVID-19 is caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). Key to SARS-CoV-2 therapeutic development is u...
    Speaker: Imre Berger
    Presented at: Coronavirus Series
    Sponsored By: GenScript
    2
    SEP 03, 2020 | 9:00 AM
    The Complexities of SV Analytical Ultracentrifugation: AAVs are not Simple, Binary Systems
    The Complexities of SV Analytical Ultracentrifugation: AAVs are...
    DATE: September 3, 2020 TIME: 09:00am PT, 12:00pm ET xxx Learning Objectives: xxx Webinars will be available for unlimited on-demand viewing after live event. LabRoots is approved as a provi...
    Speaker: Dr. Lake Paul
    Sponsored By: Beckman Coulter Life Sciences
    12
    AUG 06, 2020 | 10:00 AM
    Part III: Exploring the inhibition of Alk2 kinase and dimerization of EGFR kinase
    Part III: Exploring the inhibition of Alk2 kinase and dimerization...
    One of the most common pathologically relevant mutated variants of ALK-2 (activin receptor-like kinase-2) has a point mutation (R206H) in its Ser/Thr kinase domain that promotes uncontrolled...
    Speaker: Kumar Ashtekar, PhD
    Presented at: 2020 Beckman Symposium
    1
    AUG 06, 2020 | 12:00 AM
    Carbon dioxide utilization in plastic production: Development of a nickel catalyst
    Carbon dioxide utilization in plastic production: Development...
    Carbon dioxide emissions, known to exacerbate climate change, have been increasing rapidly over the past century. One strategy to alleviate this issue is carbon capture and utilization (CCU)...
    Speaker: Vennela Mannava
    Presented at: 2020 Beckman Symposium
    1
    JUL 15, 2020 | 9:00 AM
    Calidad Más Allá de las Cifras
    Calidad Más Allá de las Cifras
    DATE: 15 Julio 2020 TIME: 11:00 COT, 09:00am PDT En esta conferencia tratamos de explorar el concepto profundo, holístico y existencial de la calidad , mucho más allá de...
    Speaker: Esteban Echavarría, MD
    Sponsored By: Abbott
    9 1
     
     
  • JUN 17, 2020 | 1:30 PM
    Insights into the Pathogenesis of COVID-19 as Revealed by Spatial Biology
    Insights into the Pathogenesis of COVID-19 as Revealed by Spatial...
    Understanding the complex interplay between a pathogen and the host response is important to developing effective vaccines and therapeutics. The nCounter® Analysis System and GeoMx®...
    Speaker: Joseph M. Beechem, PhD , Christopher E. Mason, PhD , Robert Schwartz, PhD
    Presented at: Coronavirus Series
    Sponsored By: NanoString Technologies
    9
    JUN 16, 2020 | 8:00 AM
    Measuring molecular interactions by multi-wavelength analytical ultracentrifugation
    Measuring molecular interactions by multi-wavelength analytical...
    DATE: June 16, 2020 TIME: 8:00am PT Multi-wavelength analysis of hydrodynamic data collected on the latest analytical ultracentrifugation instruments provides additional resolution and insig...
    Speaker: Borries Demeler, PhD
    Sponsored By: Beckman Coulter Life Sciences
    22 1
    MAY 20, 2020 | 12:00 AM
    Gene-editing by a "click-of-a-button"
    Gene-editing by a "click-of-a-button"
    If you have ever worked in the field of gene-editing, then you must know the powerful gene-editing technology known as CRISPR. It has the potential to alter science and biotechnology at an i...
    Speaker: Steve Shih, PhD
    Presented at: Laboratory Automation & Informatics Virtual Event Series 2020
    1
    MAY 20, 2020 | 12:00 AM
    Comprehensive Genomic Association Data for Genetic Variant Interpretation: A Computational Approach
    Comprehensive Genomic Association Data for Genetic Variant Interpretation:...
    Design and interpretation of genome sequencing assays and data in both clinical diagnostics and research labs is complicated by an inability to identify information from the medical literatu...
    Speaker: Mark Kiel, MD, PhD
    Presented at: Laboratory Automation & Informatics Virtual Event Series 2020
    1
    MAY 20, 2020 | 12:00 AM
    Next-gen protein assays enabling precision medicine and data-driven biology
    Next-gen protein assays enabling precision medicine and data-driven...
    Proteins are the functional blocks of any biological entity from 50 nm sized viruses to the 100 ft long mammals (blue whale). They perform intra cellular, tissue, organ, system, or organism...
    Speaker: Kursad Araz, PhD
    Presented at: Laboratory Automation & Informatics Virtual Event Series 2020
    1
     
     
  • MAY 14, 2020 | 12:00 AM
    Tissue Chips: Building Confidence Through Independent Experimental Testing
    Tissue Chips: Building Confidence Through Independent Experimental...
    Experimental models that promise to replace animal tests that are currently required for drugs and chemicals are rapidly proliferating. This includes a number of novel solutions offered by b...
    Speaker: Ivan Rusyn, PhD
    Presented at: Laboratory Animal Sciences Virtual Event Series 2020
    0
    MAY 06, 2020 | 12:00 AM
    Forensic Anthropology At La Línea: Advances In Computational Methods For The Identification Of The U.S.-México Border Dead.
    Forensic Anthropology At La Línea: Advances In Computational Methods...
    The ever-increasing number of deaths along the U.S.-México border and the diversification in the demographic characteristics of the Latin American migrants, who perish in this region,...
    Speaker: Bridget Algee-Hewitt, PhD
    Presented at: Forensic Sciences Virtual Event Series 2020
    2
    APR 08, 2020 | 12:00 AM
    Macroscopic Modeling of Bioreactors for Recombinant Protein Producing Pichia pastoris in Defined Medium
    Macroscopic Modeling of Bioreactors for Recombinant Protein Producing...
    Bioreactor modeling can inform understanding of cellular metabolism—including aspects of growth kinetics, productivity, media consumption, and metabolite secretion—and can be use...
    Speaker: Moo Sun Hong, MS
    Presented at: BioProcessing Virtual Event Series 2020
    2
    APR 01, 2020 | 8:00 AM
    An Introduction to Liquid Chromatography-Mass Spectrometry for the Clinical Laboratory
    An Introduction to Liquid Chromatography-Mass Spectrometry for...
    DATE: April 1, 2020 TIME: 8:00am PST The capabilities of liquid chromatography coupled to mass spectrometry make the technology a very attractive tool in clinical laboratory settings. Howeve...
    Speaker: Adam McShane, PhD, DABCC
    11 1
    MAR 17, 2020 | 7:00 AM
    Time-Resolved STED Microscopy
    Time-Resolved STED Microscopy
    DATE: March 17, 2020 TIME: 7:00am PT, 10:00am ET Introduced more than 30 years ago, stimulated emission depletion (STED) microscopy has raised to a standard and widely used method for imagin...
    Speaker: Giuseppe Vicidomini, Ph.D.
    Sponsored By: Leica Microsystems
    8
     
     
  • FEB 18, 2020 | 8:00 AM
    Path Forward of Mass Spectrometry in Clinical Laboratories
    Path Forward of Mass Spectrometry in Clinical Laboratories
    DATE: February 18, 2020 TIME: 8:00am PST...
    Speaker: Amy Chan, PhD, DABCC, NRCC
    8
    JAN 15, 2020 | 10:00 AM
    Reducing Complexity and Increasing the Value of Molecular VL, STI, and Transplant Testing with Middleware
    Reducing Complexity and Increasing the Value of Molecular VL,...
    DATE: January 15, 2020 TIME: 10:00am PST Genomics, personalized medicine and cost stewardship are just a few of the forces behind the need for better management of discrete testing informati...
    Speaker: Michael D. Sutch, CPHQ (NAHQ), PMP (PMI) and MT(ASCP)
    Sponsored By: Abbott Molecular Diagnostic
    4
    JAN 01, 2020 | 6:00 AM
    Selective D4R Ligands Reveal Structure-Activity Relationships that Engender Agonist Efficacy
    Selective D4R Ligands Reveal Structure-Activity Relationships...
    The dopamine D4 receptor (D4R) is enriched in the prefrontal cortex where it plays important roles in cognition, attention, decision making and executive function. Novel D4R-selective ligand...
    Speaker: Comfort Boateng, PhD
    Presented at: Neuroscience Virtual Event Series 2020
    1
    JAN 01, 2020 | 6:00 AM
    Bridging the translational gap in rodent behavioral testing using touchscreens and the MouseBytes Open science data repository
    Bridging the translational gap in rodent behavioral testing using...
    Open Science has changed research by making data accessible and shareable, contributing to replicability to accelerate and disseminate knowledge. However, for rodent cognitive studies the av...
    Speaker: Marco A.M. Prado, Pharm, MSc, PhD
    Presented at: Neuroscience Virtual Event Series 2020
    1
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