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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 30, 2019 | 7:00 AM
      A Novel Approach for Single-cell Multi-omic Analysis to Identify Regulatory Signatures in Cancer
      A Novel Approach for Single-cell Multi-omic Analysis to Identify...
      DATE: October 30, 2019TIME: 7:00am PDTJoin us for a webinar to learn how to apply single cell methods to study cancer. Dr. William Greenleaf, Associate Professor from Stanford Universit...
      Speaker: William J. Greenleaf, Ph.D
      Sponsored By: 10x Genomics
      18 1
      OCT 24, 2019 | 1:30 PM
      Characterization of Biotherapeutics by Chemometric and Machine Learning Analysis of NMR Spectra
      Characterization of Biotherapeutics by Chemometric and Machine...
      With annual sales exceeding $145 billion, growth of biologic therapeutics is outpacing that of small-molecule drugs, and the development, manufacture, and delivery of biologics presents very...
      Speaker: Frank Delaglio, PhD
      Presented at: Analytical Chemistry Virtual Event Series 2019
      4 1
      OCT 24, 2019 | 10:30 AM
      Supercritical fluid chromatography of polar biomolecules at the analytical and preparative scale: evaluation of global conformational changes in peptides and proteins
      Supercritical fluid chromatography of polar biomolecules at the...
      Supercritical fluid chromatography (SFC) has historically been very effective for exacting difficult chiral separations, with an unmatched power in terms of enabling highly efficient enantios...
      Speaker: Raffeal Bennett, PhD
      Presented at: Analytical Chemistry Virtual Event Series 2019
      2
      OCT 24, 2019 | 6:00 AM
      Multidimension Chromatography; a Disruptive Technology - A Netflix Effect in the World of Chromatography!
      Multidimension Chromatography; a Disruptive Technology - A Netflix...
      Chromatography is the first choice in separation technique for a wide selection of applications, across many fields, ranging from simple to highly complex extracts. The main rationale for it...
      Speaker: Claude Mallet, PhD
      Presented at: Analytical Chemistry Virtual Event Series 2019
      2
      OCT 01, 2019 | 8:00 AM
      Looking under the Hood and Getting Started with the Optima AUC
      Looking under the Hood and Getting Started with the Optima AUC
      DATE: October 1, 2019TIME: 8:00am PTIn the webinar, Introduction to Characterization of Biomolecules Using Analytical Ultracentrifugation, we discussed the fundamentals of analytical...
      Speaker: Akash Bhattacharya, PhD , Ross VerHeul
      Sponsored By: Beckman Coulter Life Sciences
      4
      SEP 12, 2019 | 1:30 PM
      Gender Parity in Virology Conference Speaker Selections
      Gender Parity in Virology Conference Speaker Selections
      Scientific conferences are most beneficial to participants when they showcase significant new experimental developments, accurately summarize the current state of the field, and provide stron...
      Speaker: Ann Palmenberg, PhD
      Presented at: Microbiology & Immunology Virtual Event Series 2019
      1
      AUG 13, 2019 | 9:00 AM
      Nanometer-accuracy distance measurements between fluorophores at the single-molecule level
      Nanometer-accuracy distance measurements between fluorophores...
      DATE: August 13, 2019TIME: 9:00am PT, 12:00pm ET, 5:00pm BST Molecular complexes are major constituents of cells, hence unraveling their mechanisms is key to fuller comprehension of c...
      Speaker: Nico Stuurman, PhD , Marcin Barszczewski, PhD
      Sponsored By: Andor
      3
      APR 18, 2019 | 9:00 AM
      Deep Learning in Optics
      Deep Learning in Optics
      DATE: April 18, 2019 TIME: 9:00am PDT...
      Speaker: Aydogan Ozcan, PhD , Hongda Wang, MS, BS , Yair Rivenson, PhD , Laurent Bentolila, PhD
      Sponsored By: Leica Microsystems
      4
      FEB 27, 2019 | 6:00 AM
      Discovering Cellular Mechanisms and Biomarkers in Anti-PD1 Non-Responders Using Ingenuity Pathway Analysis Software and OmicSoft OncoLand Datasets from QIAGEN
      Discovering Cellular Mechanisms and Biomarkers in Anti-PD1 Non-Responders...
      The last two decades have seen an explosion in the volume of oncology data generated using next-generation sequencing (NGS) and multi-omics techniques. As a result, there is a growing need fo...
      Speaker: Devendra Mistry, PhD
      Presented at: Drug Discovery Virtual Event Series 2019
      Sponsored By: QIAGEN
      1
      FEB 14, 2019 | 9:00 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 bi...
      Speaker: Ivan Rusyn, PhD
      Presented at: Laboratory Animal Sciences Virtual Event Series 2019
      2 1
      FEB 14, 2019 | 9:00 AM
      General Informatics Strategy for Specific Scientific Data (From Collection to Insight)
      General Informatics Strategy for Specific Scientific Data (From...
      The goal of transforming one’s pipeline to a steady source of usable data is within our reach. Data that could be used for clinical insights or earlier in the drug discovery process. &n...
      Speaker: Yohann Potier, PhD
      Presented at: Laboratory Animal Sciences Virtual Event Series 2019
      2
      OCT 25, 2018 | 12:00 PM
      Through the Looking Glass, and What Amino Acids Found There
      Through the Looking Glass, and What Amino Acids Found There
      Analytical chemistry can take you to strange places - for me it has been to the bottom of a quarry, being covered in dirt, excavating sesame-seed sized fossils that allow us to work out when...
      Speaker: Kirsty Penkman, PhD
      Presented at: Analytical Chemistry Virtual Event Series 2018
      1
      OCT 25, 2018 | 10:30 AM
      Trash or Treasure: Optimizing Titration Electrodes and Consumables
      Trash or Treasure: Optimizing Titration Electrodes and Consumables
      Everyone that uses titration in their lab knows how simple and fast the technique can be.  However, uncertainty around when to replace electrodes creates confusion. Reagent quality, tubi...
      Speaker: Jessica McVay , Lori Spafford
      Presented at: Analytical Chemistry Virtual Event Series 2018
      Sponsored By: Metrohm USA
      1
      OCT 25, 2018 | 9:00 AM
      Advances in Hydrogen-Deuterium Exchange Mass Spectrometry That Can Improve Studies of Biosimilars and Membrane Protein Drug Targets
      Advances in Hydrogen-Deuterium Exchange Mass Spectrometry That...
      Hydrogen-deuterium exchange mass spectrometry (HDX-MS) has developed into a powerful tool for investigating biopharmaceuticals, protein interactions, and membrane protein dynamics. Since 2010...
      Speaker: Jeffrey Hudgens, PhD
      Presented at: Analytical Chemistry Virtual Event Series 2018
      2
      OCT 25, 2018 | 7:30 AM
      Analytical Approaches to Advance Alzheimer's Disease Research
      Analytical Approaches to Advance Alzheimer's Disease Research
      Alzheimer’s disease is becoming a public health crisis as the anticipated number of sufferers is expected to rise to 15 million in the next 30 years, at least in the US. These numbers a...
      Speaker: Rena Robinson, PhD
      Presented at: Analytical Chemistry Virtual Event Series 2018
      1
      OCT 24, 2018 | 1:30 PM
      Accessories and Techniques for FT-IR Sample Analysis
      Accessories and Techniques for FT-IR Sample Analysis
      This intensive workshop will introduce infrared spectroscopy, outline the various sample handling methods and provide guidance on the numerous transmission and reflectance methods available f...
      Speaker: Richard Larsen, PhD
      Presented at: Analytical Chemistry Virtual Event Series 2018
      1
      OCT 24, 2018 | 12:00 PM
      Ion Mobility-Mass Spectrometry in the -Omics
      Ion Mobility-Mass Spectrometry in the -Omics
      Ion mobility-mass spectrometry (IM-MS) is a rapid, gas-phase separation technique that has become an integral part of the analytical repertoire of techniques for the -omics. This method coupl...
      Speaker: Christopher Chouinard, PhD
      Presented at: Analytical Chemistry Virtual Event Series 2018
      1
      OCT 24, 2018 | 10:30 AM
      Chemometric Methods for Analysis of 2D 1H-13C Methyl NMR Spectra of Monoclonal Antibodies for Higher Order Structure Characterization
      Chemometric Methods for Analysis of 2D 1H-13C Methyl NMR Spectra...
      Two-dimensional (2D) 1H-13C methyl correlated NMR is increasingly being recognized as a powerful tool to characterize the higher order structure (HOS) of monoclonal antibody (mAb) therapeutic...
      Speaker: Luke Arbogast, PhD
      Presented at: Analytical Chemistry Virtual Event Series 2018
      1
      OCT 24, 2018 | 9:00 AM
      Keynote Presentation: Solid Phase Microextraction: New Developments in Bioanalysis and Medical Applications
      Keynote Presentation: Solid Phase Microextraction: New Developments...
      Solid phase microextraction (SPME) is a versatile, non-exhaustive sample preparation tool that has been demonstrated to be well-suited for facile and effective analysis of a broad range of co...
      Speaker: Barbara Bojko, PhD , Janusz Pawliszyn, PhD, FCIC, FRSC
      Presented at: Analytical Chemistry Virtual Event Series 2018
      2
      OCT 24, 2018 | 7:30 AM
      Keynote Presentation: Mass Spectrometry Approaches for the the Single Cell Chemical Characterization of the Brain
      Keynote Presentation: Mass Spectrometry Approaches for the the...
      In the postgenomic era, one expects the suite of chemical players in a brain region to be known and their functions uncovered. Perhaps surprisingly, many neurochemicals remain poorly characte...
      Speaker: Jonathan Sweedler, PhD
      Presented at: Analytical Chemistry Virtual Event Series 2018
      3
      OCT 24, 2018 | 6:00 AM
      Applied Hyperspectral Imaging Fundamentals and Case Studies
      Applied Hyperspectral Imaging Fundamentals and Case Studies
      A fast, reliable and low cost characterization of materials/ products as fed to a process, and/or resulting from different processing actions, represents one of the most challenging targets i...
      Speaker: Giuseppe Bonifazi, PhD
      Presented at: Analytical Chemistry Virtual Event Series 2018
      2
      OCT 11, 2018 | 1:30 PM
      Breast Cancer as a Global Disease: Are We Up to The Challenge?
      Breast Cancer as a Global Disease: Are We Up to The Challenge?
      As the most common female malignancy, breast cancer is the most likely reason that a woman will die of cancer around the world. Breast cancer mortality has dropped in the U.S. by 35% since 19...
      Speaker: Benjamin Anderson, MD
      Presented at: Cancer Research & Oncology Week Virtual Event Series 2018
      3
      OCT 11, 2018 | 12:00 PM
      Lung Cancer Evolution and Immune Escape
      Lung Cancer Evolution and Immune Escape
      Lung cancer is the leading cause of cancer-related mortality worldwide. Large-scale sequencing studies have revealed the complex genomic landscape of NSCLC and genomic differences between lun...
      Speaker: Nicholas McGranahan, PhD
      Presented at: Cancer Research & Oncology Week Virtual Event Series 2018
      1
      OCT 11, 2018 | 10:30 AM
      Drug Targeting for Inflammatory Breast Cancer
      Drug Targeting for Inflammatory Breast Cancer
      Two projects looking at novel approaches to targeting inflammatory breast cancer will be presented. Inflammatory breast cancer (IBC) is a unique, understudied, and most lethal subtype account...
      Speaker: Kevin Williams, PhD
      Presented at: Cancer Research & Oncology Week Virtual Event Series 2018
      2
    OCT 30, 2019 | 7:00 AM
    A Novel Approach for Single-cell Multi-omic Analysis to Identify Regulatory Signatures in Cancer
    A Novel Approach for Single-cell Multi-omic Analysis to Identify...
    DATE: October 30, 2019TIME: 7:00am PDTJoin us for a webinar to learn how to apply single cell methods to study cancer. Dr. William Greenleaf, Associate Professor from Stanford Universit...
    Speaker: William J. Greenleaf, Ph.D
    Sponsored By: 10x Genomics
    18 1
    OCT 24, 2019 | 1:30 PM
    Characterization of Biotherapeutics by Chemometric and Machine Learning Analysis of NMR Spectra
    Characterization of Biotherapeutics by Chemometric and Machine...
    With annual sales exceeding $145 billion, growth of biologic therapeutics is outpacing that of small-molecule drugs, and the development, manufacture, and delivery of biologics presents very...
    Speaker: Frank Delaglio, PhD
    Presented at: Analytical Chemistry Virtual Event Series 2019
    4 1
    OCT 24, 2019 | 10:30 AM
    Supercritical fluid chromatography of polar biomolecules at the analytical and preparative scale: evaluation of global conformational changes in peptides and proteins
    Supercritical fluid chromatography of polar biomolecules at the...
    Supercritical fluid chromatography (SFC) has historically been very effective for exacting difficult chiral separations, with an unmatched power in terms of enabling highly efficient enantios...
    Speaker: Raffeal Bennett, PhD
    Presented at: Analytical Chemistry Virtual Event Series 2019
    2
    OCT 24, 2019 | 6:00 AM
    Multidimension Chromatography; a Disruptive Technology - A Netflix Effect in the World of Chromatography!
    Multidimension Chromatography; a Disruptive Technology - A Netflix...
    Chromatography is the first choice in separation technique for a wide selection of applications, across many fields, ranging from simple to highly complex extracts. The main rationale for it...
    Speaker: Claude Mallet, PhD
    Presented at: Analytical Chemistry Virtual Event Series 2019
    2
    OCT 01, 2019 | 8:00 AM
    Looking under the Hood and Getting Started with the Optima AUC
    Looking under the Hood and Getting Started with the Optima AUC
    DATE: October 1, 2019TIME: 8:00am PTIn the webinar, Introduction to Characterization of Biomolecules Using Analytical Ultracentrifugation, we discussed the fundamentals of analytical...
    Speaker: Akash Bhattacharya, PhD , Ross VerHeul
    Sponsored By: Beckman Coulter Life Sciences
    4
     
     
  • SEP 12, 2019 | 1:30 PM
    Gender Parity in Virology Conference Speaker Selections
    Gender Parity in Virology Conference Speaker Selections
    Scientific conferences are most beneficial to participants when they showcase significant new experimental developments, accurately summarize the current state of the field, and provide stron...
    Speaker: Ann Palmenberg, PhD
    Presented at: Microbiology & Immunology Virtual Event Series 2019
    1
    AUG 13, 2019 | 9:00 AM
    Nanometer-accuracy distance measurements between fluorophores at the single-molecule level
    Nanometer-accuracy distance measurements between fluorophores...
    DATE: August 13, 2019TIME: 9:00am PT, 12:00pm ET, 5:00pm BST Molecular complexes are major constituents of cells, hence unraveling their mechanisms is key to fuller comprehension of c...
    Speaker: Nico Stuurman, PhD , Marcin Barszczewski, PhD
    Sponsored By: Andor
    3
    APR 18, 2019 | 9:00 AM
    Deep Learning in Optics
    Deep Learning in Optics
    DATE: April 18, 2019 TIME: 9:00am PDT...
    Speaker: Aydogan Ozcan, PhD , Hongda Wang, MS, BS , Yair Rivenson, PhD , Laurent Bentolila, PhD
    Sponsored By: Leica Microsystems
    4
    FEB 27, 2019 | 6:00 AM
    Discovering Cellular Mechanisms and Biomarkers in Anti-PD1 Non-Responders Using Ingenuity Pathway Analysis Software and OmicSoft OncoLand Datasets from QIAGEN
    Discovering Cellular Mechanisms and Biomarkers in Anti-PD1 Non-Responders...
    The last two decades have seen an explosion in the volume of oncology data generated using next-generation sequencing (NGS) and multi-omics techniques. As a result, there is a growing need fo...
    Speaker: Devendra Mistry, PhD
    Presented at: Drug Discovery Virtual Event Series 2019
    Sponsored By: QIAGEN
    1
    FEB 14, 2019 | 9:00 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 bi...
    Speaker: Ivan Rusyn, PhD
    Presented at: Laboratory Animal Sciences Virtual Event Series 2019
    2 1
     
     
  • FEB 14, 2019 | 9:00 AM
    General Informatics Strategy for Specific Scientific Data (From Collection to Insight)
    General Informatics Strategy for Specific Scientific Data (From...
    The goal of transforming one’s pipeline to a steady source of usable data is within our reach. Data that could be used for clinical insights or earlier in the drug discovery process. &n...
    Speaker: Yohann Potier, PhD
    Presented at: Laboratory Animal Sciences Virtual Event Series 2019
    2
    OCT 25, 2018 | 12:00 PM
    Through the Looking Glass, and What Amino Acids Found There
    Through the Looking Glass, and What Amino Acids Found There
    Analytical chemistry can take you to strange places - for me it has been to the bottom of a quarry, being covered in dirt, excavating sesame-seed sized fossils that allow us to work out when...
    Speaker: Kirsty Penkman, PhD
    Presented at: Analytical Chemistry Virtual Event Series 2018
    1
    OCT 25, 2018 | 10:30 AM
    Trash or Treasure: Optimizing Titration Electrodes and Consumables
    Trash or Treasure: Optimizing Titration Electrodes and Consumables
    Everyone that uses titration in their lab knows how simple and fast the technique can be.  However, uncertainty around when to replace electrodes creates confusion. Reagent quality, tubi...
    Speaker: Jessica McVay , Lori Spafford
    Presented at: Analytical Chemistry Virtual Event Series 2018
    Sponsored By: Metrohm USA
    1
    OCT 25, 2018 | 9:00 AM
    Advances in Hydrogen-Deuterium Exchange Mass Spectrometry That Can Improve Studies of Biosimilars and Membrane Protein Drug Targets
    Advances in Hydrogen-Deuterium Exchange Mass Spectrometry That...
    Hydrogen-deuterium exchange mass spectrometry (HDX-MS) has developed into a powerful tool for investigating biopharmaceuticals, protein interactions, and membrane protein dynamics. Since 2010...
    Speaker: Jeffrey Hudgens, PhD
    Presented at: Analytical Chemistry Virtual Event Series 2018
    2
    OCT 25, 2018 | 7:30 AM
    Analytical Approaches to Advance Alzheimer's Disease Research
    Analytical Approaches to Advance Alzheimer's Disease Research
    Alzheimer’s disease is becoming a public health crisis as the anticipated number of sufferers is expected to rise to 15 million in the next 30 years, at least in the US. These numbers a...
    Speaker: Rena Robinson, PhD
    Presented at: Analytical Chemistry Virtual Event Series 2018
    1
     
     
  • OCT 24, 2018 | 1:30 PM
    Accessories and Techniques for FT-IR Sample Analysis
    Accessories and Techniques for FT-IR Sample Analysis
    This intensive workshop will introduce infrared spectroscopy, outline the various sample handling methods and provide guidance on the numerous transmission and reflectance methods available f...
    Speaker: Richard Larsen, PhD
    Presented at: Analytical Chemistry Virtual Event Series 2018
    1
    OCT 24, 2018 | 12:00 PM
    Ion Mobility-Mass Spectrometry in the -Omics
    Ion Mobility-Mass Spectrometry in the -Omics
    Ion mobility-mass spectrometry (IM-MS) is a rapid, gas-phase separation technique that has become an integral part of the analytical repertoire of techniques for the -omics. This method coupl...
    Speaker: Christopher Chouinard, PhD
    Presented at: Analytical Chemistry Virtual Event Series 2018
    1
    OCT 24, 2018 | 10:30 AM
    Chemometric Methods for Analysis of 2D 1H-13C Methyl NMR Spectra of Monoclonal Antibodies for Higher Order Structure Characterization
    Chemometric Methods for Analysis of 2D 1H-13C Methyl NMR Spectra...
    Two-dimensional (2D) 1H-13C methyl correlated NMR is increasingly being recognized as a powerful tool to characterize the higher order structure (HOS) of monoclonal antibody (mAb) therapeutic...
    Speaker: Luke Arbogast, PhD
    Presented at: Analytical Chemistry Virtual Event Series 2018
    1
    OCT 24, 2018 | 9:00 AM
    Keynote Presentation: Solid Phase Microextraction: New Developments in Bioanalysis and Medical Applications
    Keynote Presentation: Solid Phase Microextraction: New Developments...
    Solid phase microextraction (SPME) is a versatile, non-exhaustive sample preparation tool that has been demonstrated to be well-suited for facile and effective analysis of a broad range of co...
    Speaker: Barbara Bojko, PhD , Janusz Pawliszyn, PhD, FCIC, FRSC
    Presented at: Analytical Chemistry Virtual Event Series 2018
    2
    OCT 24, 2018 | 7:30 AM
    Keynote Presentation: Mass Spectrometry Approaches for the the Single Cell Chemical Characterization of the Brain
    Keynote Presentation: Mass Spectrometry Approaches for the the...
    In the postgenomic era, one expects the suite of chemical players in a brain region to be known and their functions uncovered. Perhaps surprisingly, many neurochemicals remain poorly characte...
    Speaker: Jonathan Sweedler, PhD
    Presented at: Analytical Chemistry Virtual Event Series 2018
    3
     
     
  • OCT 24, 2018 | 6:00 AM
    Applied Hyperspectral Imaging Fundamentals and Case Studies
    Applied Hyperspectral Imaging Fundamentals and Case Studies
    A fast, reliable and low cost characterization of materials/ products as fed to a process, and/or resulting from different processing actions, represents one of the most challenging targets i...
    Speaker: Giuseppe Bonifazi, PhD
    Presented at: Analytical Chemistry Virtual Event Series 2018
    2
    OCT 11, 2018 | 1:30 PM
    Breast Cancer as a Global Disease: Are We Up to The Challenge?
    Breast Cancer as a Global Disease: Are We Up to The Challenge?
    As the most common female malignancy, breast cancer is the most likely reason that a woman will die of cancer around the world. Breast cancer mortality has dropped in the U.S. by 35% since 19...
    Speaker: Benjamin Anderson, MD
    Presented at: Cancer Research & Oncology Week Virtual Event Series 2018
    3
    OCT 11, 2018 | 12:00 PM
    Lung Cancer Evolution and Immune Escape
    Lung Cancer Evolution and Immune Escape
    Lung cancer is the leading cause of cancer-related mortality worldwide. Large-scale sequencing studies have revealed the complex genomic landscape of NSCLC and genomic differences between lun...
    Speaker: Nicholas McGranahan, PhD
    Presented at: Cancer Research & Oncology Week Virtual Event Series 2018
    1
    OCT 11, 2018 | 10:30 AM
    Drug Targeting for Inflammatory Breast Cancer
    Drug Targeting for Inflammatory Breast Cancer
    Two projects looking at novel approaches to targeting inflammatory breast cancer will be presented. Inflammatory breast cancer (IBC) is a unique, understudied, and most lethal subtype account...
    Speaker: Kevin Williams, PhD
    Presented at: Cancer Research & Oncology Week Virtual Event Series 2018
    2
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