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    Molecular Modelling

    Molecular modelling lies somewhere between theory, observation and experiment and is being called the fourth axis of chemistry. Basing on theoretical chemistry methods and experimental data, it involves a range of computerized methods or techniques to predict molecular and biological properties.

    Webinars

    • MAR 11, 2020 | 10:30 AM
      Innate immunity in chronic neurodegeneration
      Innate immunity in chronic neurodegeneration
      The accumulation of neurotoxic amyloid beta peptides and/or neurofibrillary tangle formation are key pathological hallmarks of neurodegenerative diseases including but not limited to Alzheim...
      Speaker: Michael Heneka, PhD
      Presented at: Neuroscience Virtual Event Series 2020
      Sponsored By: NanoString Technologies
      1
      MAR 11, 2020 | 10:30 AM
      PANEL: The Berghia Brain Project: A Team Approach to Understanding Whole-Brain Control of State-Dependent, Motivated Behaviors
      PANEL: The Berghia Brain Project: A Team Approach to Understanding...
      The neural basis of simple rhythmic and reflexive behaviors such as swimming and gill withdrawal have been successfully studied in nudibranchs and other gastropod molluscs because the brains...
      Speaker: Paul Katz, PhD , Jeff Lichtman, MD, PhD , William Frost, PhD , Deidre Lyons, PhD , Vince Lyzinski, PhD, B.Sc, M.Sc, M.Sc.E.
      Presented at: Neuroscience Virtual Event Series 2020
      1
      MAR 11, 2020 | 9:00 AM
      PANEL: Neural circuit mechanisms of memory replay
      PANEL: Neural circuit mechanisms of memory replay
      Although neuroscience has provided a great deal of information about how neurons work, the fundamental question of how neurons function together in a network to produce cognition has been di...
      Speaker: György Buzsáki, PhD , Attila Losonczy , Mark Schnitzer , Ivan Soltesz
      Presented at: Neuroscience Virtual Event Series 2020
      1
      MAR 11, 2020 | 6:00 AM
      PANEL: The Neural Control of Locomotion, an Integrative Approach
      PANEL: The Neural Control of Locomotion, an Integrative Approach
      The locomotion of humans and other animals requires a seamless flow of information from sensory modalities all the way to the motor periphery. As such, locomotion is an excellent system for...
      Speaker: Michael Dickinson, PhD , Anthony Azevedo, PhD , Clare Howard, PhD , Luke Brezovec , Sasha Rayshubskiy , Emily Palmer
      Presented at: Neuroscience Virtual Event Series 2020
      1
      MAR 11, 2020 | 6:00 AM
      PANEL: Sensorimotor Processing, Decision Making, and Internal States: Towards a Realistic Multiscale Circuit Model of the Larval Zebrafish Brain
      PANEL: Sensorimotor Processing, Decision Making, and Internal...
      We present here a framework to generate a realistic multiscale circuit model of the larval zebrafish brain – the multiscale virtual fish (MVF). The model will be based on algorithms in...
      Speaker: Florian Engert, PhD , Jeff Lichtman, MD, PhD , Haim Sompolinsky
      Presented at: Neuroscience Virtual Event Series 2020
      1
      FEB 26, 2020 | 9:00 AM
      CRISPR Based Screening: Advantages of Transcriptional Activators and Inhibitors
      CRISPR Based Screening: Advantages of Transcriptional Activators...
      CRISPR revolutionized gene editing, but multi-target screening remains a complex goal. In addition, the fast pace of CRISPR technology development has brought sophisticated options for libra...
      Speaker: Andrew Ravanelli, PhD
      Presented at: Drug Discovery & Development Virtual Event Series 2020
      Sponsored By: MilliporeSigma
      2 1
      FEB 26, 2020 | 7:30 AM
      Keynote Presentation: Emerging Drug Combinations: Evolution From Pre-Clinical Discovery to Clinical Development
      Keynote Presentation: Emerging Drug Combinations: Evolution From...
      Recent advances in DNA sequencing and omics-based capabilities are revealing incredible therapeutic opportunities and quickly transforming drug discovery. Molecularly targeted drugs aim to e...
      Speaker: Khyati Shah, PhD
      Presented at: Drug Discovery & Development Virtual Event Series 2020
      1
      FEB 05, 2020 | 8:00 AM
      C.E. CREDITS
      Emerging Issues in the Coagulation Laboratory
      Emerging Issues in the Coagulation Laboratory
      Learn how new hemophilia and anticoagulant therapies impact coagulation assays and clinical decisions in our educational session....
      Speaker: Donna Castellone, MS, MASCP, MT(ASCP) SH
      Presented at: Stago EdVantage Virtual University
      Sponsored By: Diagnostica Stago, Inc.
      10 1
      JAN 01, 2020 | 6:00 AM
      Human Tissue models for better therapies
      Human Tissue models for better therapies
      The OrganoPlate is a microtiterplate based Organ-on-a-Chip platform for high throughput drug safety and efficacy screening. It contains up to 96 cell culture chambers that allow co-culture o...
      Speaker: Sebastiaan Trietsch, PhD
      Presented at: Drug Discovery & Development Virtual Event Series 2020
      1
      JAN 01, 2020 | 6:00 AM
      Vancomycin:  How might Urinary Biomarkers and Precision Dosing create Precision Medicine for the most frequently utilized antibiotic in the hospital?
      Vancomycin: How might Urinary Biomarkers and Precision Dosing...
      Learning Objectives: 1. Describe the exposure response relationships with vancomycin and acute kidney injury 2. Define biomarkers that may be useful to improve Precision Dosing...
      Speaker: Marc Scheetz, PharmD, MSc, FCCP, FCP
      Presented at: Drug Discovery & Development Virtual Event Series 2020
      1
      JAN 01, 2020 | 6:00 AM
      Microphysiological Systems for Human Focused Drug Discovery
      Microphysiological Systems for Human Focused Drug Discovery
      Microphysiological systems (MPS), also known as organ-on-chips, are small scale in vitro cell cultures which mimic facets of tissue or organ level function. MPS frequently utilise primary hu...
      Speaker: Tomasz Kostrzewski, PhD
      Presented at: Drug Discovery & Development Virtual Event Series 2020
      3
      JAN 01, 2020 | 6:00 AM
      Multi-region Neural Network Models of Adaptive and Maladaptive Learning in the Brain
      Multi-region Neural Network Models of Adaptive and Maladaptive...
      In Andalman et al, 2018, we explored the activity of over 10,000 neurons across more than 15 regions imaged simultaneously in larval zebrafish in a novel behavioral challenge paradigm. Compl...
      Speaker: Kanaka Rajan, PhD
      Presented at: Neuroscience Virtual Event Series 2020
      1
      JAN 01, 2020 | 6:00 AM
      Acoustically Targeted Molecular Neuromodulation
      Acoustically Targeted Molecular Neuromodulation
      The study of biological function in intact organisms and the development of targeted cellular therapeutics necessitate methods to image and control cellular function in vivo. Technologies su...
      Speaker: Mikhail Shapiro, PhD
      Presented at: Neuroscience Virtual Event Series 2020
      2
      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
      Sensing in a dynamic world: what the antennae of the fruit fly can teach us about sensation and the perception of movement
      Sensing in a dynamic world: what the antennae of the fruit fly...
      Normal behavior in any moving animal, including humans, relies on communication between motor systems that control movements, and the sensory systems we use to guide these actions. A critica...
      Speaker: Marie Suver, PhD
      Presented at: Neuroscience Virtual Event Series 2020
      1
      JAN 01, 2020 | 6:00 AM
      3D-Micro Tissues in Translational Toxicology and Disease Modelling
      3D-Micro Tissues in Translational Toxicology and Disease Modelling
      The aim of the lecture is to give an insight into the use of 3D liver micro tissues (3D liMTs) in drug discovery and translational safety. In translational toxicology, 3D LiMTs have a high i...
      Speaker: Armin Wolf, PhD
      Presented at: Drug Discovery & Development Virtual Event Series 2020
      1
      JAN 01, 2020 | 6:00 AM
      Uncovering the mechanism of stress-resistant DNA replication in cancer cells using a modern single-molecule technique
      Uncovering the mechanism of stress-resistant DNA replication in...
      Accurate DNA replication is essential to transmit the genetic information from one generation to another. However, replication is frequently challenged by barriers that originate from exogen...
      Speaker: Chames Kermi, PhD, PharmD
      Presented at: Drug Discovery & Development Virtual Event Series 2020
      1
      JAN 01, 2020 | 6:00 AM
      Investigating the roles of the  Hsp90 co-chaperone, STI1, in neuronal resilience during aging
      Investigating the roles of the Hsp90 co-chaperone, STI1, in neuronal...
      Chaperone networks are dysregulated with aging, but whether compromised Hsp70/Hsp90 chaperone function disturbs neuronal resilience is unknown. Stress‐inducible phosphoprotein 1 (STI1; STIP1...
      Speaker: Rachel Lackie, HBSc.
      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
      JAN 01, 2020 | 6:00 AM
      Deciphering the spreading of neuropathologies in neuronal circuits using a high capacity microfluidics platform
      Deciphering the spreading of neuropathologies in neuronal circuits...
      Misfolded and accumulated neurodegenerative disease associated proteins (NDAPs, such as tau and alpha-synuclein) represent the major pathological hallmark in Alzheimer’s and Parkinson&...
      Speaker: Sebastian Illes, PhD
      Presented at: Neuroscience Virtual Event Series 2020
      1
      JAN 01, 2020 | 6:00 AM
      Organoids: A Revolutionary New Tool for Drug Screening
      Organoids: A Revolutionary New Tool for Drug Screening
      “The poor translatability of early-stage preclinical models is a major setback in oncology drug development. Immortalized cell lines, that are extensively used in drug screens, undergo...
      Speaker: Rekha Pal, PhD
      Presented at: Drug Discovery & Development Virtual Event Series 2020
      1
      JAN 01, 2020 | 6:00 AM
      Microfabricated Human Liver Tissues for Drug Development
      Microfabricated Human Liver Tissues for Drug Development
      The liver plays a critical role in the metabolism and clearance of more than 70% of marketed drugs. Furthermore, toxicity to the liver is a major reason for preclinical and clinical drug fai...
      Speaker: Salman Khetani, PhD
      Presented at: Drug Discovery & Development Virtual Event Series 2020
      1
      JAN 01, 2020 | 6:00 AM
      Using 3D cell culture models and high content confocal imaging to evaluate efficacy and expose toxic liabilities in the drug development pipeline
      Using 3D cell culture models and high content confocal imaging...
      With an increasing push to improve safety, efficacy, and efficiency throughout the drug development pipeline, researchers are evermore looking to improve the predictive capacity of their in...
      Speaker: Erin Edwards, PhD
      Presented at: Drug Discovery & Development Virtual Event Series 2020
      1
      DEC 04, 2019 | 7:00 AM
      Improve your reproducibility - Liquid Handling is a crucial factor Exemplarily shown for NGS, ELISA and qPCR
      Improve your reproducibility - Liquid Handling is a crucial factor...
      DATE: December 4, 2019TIME: 7:00am PST, 10:00am EST, 4:00pm CET Do you know how it feels when you just quickly want to redo an experiment that your colleague did, or an experim...
      Speaker: Katja Baesler, PhD , Ulrike Gast, PhD , Alisa Gruschka
      Sponsored By: Eppendorf
      12
    MAR 11, 2020 | 10:30 AM
    Innate immunity in chronic neurodegeneration
    Innate immunity in chronic neurodegeneration
    The accumulation of neurotoxic amyloid beta peptides and/or neurofibrillary tangle formation are key pathological hallmarks of neurodegenerative diseases including but not limited to Alzheim...
    Speaker: Michael Heneka, PhD
    Presented at: Neuroscience Virtual Event Series 2020
    Sponsored By: NanoString Technologies
    1
    MAR 11, 2020 | 10:30 AM
    PANEL: The Berghia Brain Project: A Team Approach to Understanding Whole-Brain Control of State-Dependent, Motivated Behaviors
    PANEL: The Berghia Brain Project: A Team Approach to Understanding...
    The neural basis of simple rhythmic and reflexive behaviors such as swimming and gill withdrawal have been successfully studied in nudibranchs and other gastropod molluscs because the brains...
    Speaker: Paul Katz, PhD , Jeff Lichtman, MD, PhD , William Frost, PhD , Deidre Lyons, PhD , Vince Lyzinski, PhD, B.Sc, M.Sc, M.Sc.E.
    Presented at: Neuroscience Virtual Event Series 2020
    1
    MAR 11, 2020 | 9:00 AM
    PANEL: Neural circuit mechanisms of memory replay
    PANEL: Neural circuit mechanisms of memory replay
    Although neuroscience has provided a great deal of information about how neurons work, the fundamental question of how neurons function together in a network to produce cognition has been di...
    Speaker: György Buzsáki, PhD , Attila Losonczy , Mark Schnitzer , Ivan Soltesz
    Presented at: Neuroscience Virtual Event Series 2020
    1
    MAR 11, 2020 | 6:00 AM
    PANEL: The Neural Control of Locomotion, an Integrative Approach
    PANEL: The Neural Control of Locomotion, an Integrative Approach
    The locomotion of humans and other animals requires a seamless flow of information from sensory modalities all the way to the motor periphery. As such, locomotion is an excellent system for...
    Speaker: Michael Dickinson, PhD , Anthony Azevedo, PhD , Clare Howard, PhD , Luke Brezovec , Sasha Rayshubskiy , Emily Palmer
    Presented at: Neuroscience Virtual Event Series 2020
    1
    MAR 11, 2020 | 6:00 AM
    PANEL: Sensorimotor Processing, Decision Making, and Internal States: Towards a Realistic Multiscale Circuit Model of the Larval Zebrafish Brain
    PANEL: Sensorimotor Processing, Decision Making, and Internal...
    We present here a framework to generate a realistic multiscale circuit model of the larval zebrafish brain – the multiscale virtual fish (MVF). The model will be based on algorithms in...
    Speaker: Florian Engert, PhD , Jeff Lichtman, MD, PhD , Haim Sompolinsky
    Presented at: Neuroscience Virtual Event Series 2020
    1
     
     
  • FEB 26, 2020 | 9:00 AM
    CRISPR Based Screening: Advantages of Transcriptional Activators and Inhibitors
    CRISPR Based Screening: Advantages of Transcriptional Activators...
    CRISPR revolutionized gene editing, but multi-target screening remains a complex goal. In addition, the fast pace of CRISPR technology development has brought sophisticated options for libra...
    Speaker: Andrew Ravanelli, PhD
    Presented at: Drug Discovery & Development Virtual Event Series 2020
    Sponsored By: MilliporeSigma
    2 1
    FEB 26, 2020 | 7:30 AM
    Keynote Presentation: Emerging Drug Combinations: Evolution From Pre-Clinical Discovery to Clinical Development
    Keynote Presentation: Emerging Drug Combinations: Evolution From...
    Recent advances in DNA sequencing and omics-based capabilities are revealing incredible therapeutic opportunities and quickly transforming drug discovery. Molecularly targeted drugs aim to e...
    Speaker: Khyati Shah, PhD
    Presented at: Drug Discovery & Development Virtual Event Series 2020
    1
    FEB 05, 2020 | 8:00 AM
    C.E. CREDITS
    Emerging Issues in the Coagulation Laboratory
    Emerging Issues in the Coagulation Laboratory
    Learn how new hemophilia and anticoagulant therapies impact coagulation assays and clinical decisions in our educational session....
    Speaker: Donna Castellone, MS, MASCP, MT(ASCP) SH
    Presented at: Stago EdVantage Virtual University
    Sponsored By: Diagnostica Stago, Inc.
    10 1
    JAN 01, 2020 | 6:00 AM
    Human Tissue models for better therapies
    Human Tissue models for better therapies
    The OrganoPlate is a microtiterplate based Organ-on-a-Chip platform for high throughput drug safety and efficacy screening. It contains up to 96 cell culture chambers that allow co-culture o...
    Speaker: Sebastiaan Trietsch, PhD
    Presented at: Drug Discovery & Development Virtual Event Series 2020
    1
    JAN 01, 2020 | 6:00 AM
    Vancomycin:  How might Urinary Biomarkers and Precision Dosing create Precision Medicine for the most frequently utilized antibiotic in the hospital?
    Vancomycin: How might Urinary Biomarkers and Precision Dosing...
    Learning Objectives: 1. Describe the exposure response relationships with vancomycin and acute kidney injury 2. Define biomarkers that may be useful to improve Precision Dosing...
    Speaker: Marc Scheetz, PharmD, MSc, FCCP, FCP
    Presented at: Drug Discovery & Development Virtual Event Series 2020
    1
     
     
  • JAN 01, 2020 | 6:00 AM
    Microphysiological Systems for Human Focused Drug Discovery
    Microphysiological Systems for Human Focused Drug Discovery
    Microphysiological systems (MPS), also known as organ-on-chips, are small scale in vitro cell cultures which mimic facets of tissue or organ level function. MPS frequently utilise primary hu...
    Speaker: Tomasz Kostrzewski, PhD
    Presented at: Drug Discovery & Development Virtual Event Series 2020
    3
    JAN 01, 2020 | 6:00 AM
    Multi-region Neural Network Models of Adaptive and Maladaptive Learning in the Brain
    Multi-region Neural Network Models of Adaptive and Maladaptive...
    In Andalman et al, 2018, we explored the activity of over 10,000 neurons across more than 15 regions imaged simultaneously in larval zebrafish in a novel behavioral challenge paradigm. Compl...
    Speaker: Kanaka Rajan, PhD
    Presented at: Neuroscience Virtual Event Series 2020
    1
    JAN 01, 2020 | 6:00 AM
    Acoustically Targeted Molecular Neuromodulation
    Acoustically Targeted Molecular Neuromodulation
    The study of biological function in intact organisms and the development of targeted cellular therapeutics necessitate methods to image and control cellular function in vivo. Technologies su...
    Speaker: Mikhail Shapiro, PhD
    Presented at: Neuroscience Virtual Event Series 2020
    2
    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
    Sensing in a dynamic world: what the antennae of the fruit fly can teach us about sensation and the perception of movement
    Sensing in a dynamic world: what the antennae of the fruit fly...
    Normal behavior in any moving animal, including humans, relies on communication between motor systems that control movements, and the sensory systems we use to guide these actions. A critica...
    Speaker: Marie Suver, PhD
    Presented at: Neuroscience Virtual Event Series 2020
    1
     
     
  • JAN 01, 2020 | 6:00 AM
    3D-Micro Tissues in Translational Toxicology and Disease Modelling
    3D-Micro Tissues in Translational Toxicology and Disease Modelling
    The aim of the lecture is to give an insight into the use of 3D liver micro tissues (3D liMTs) in drug discovery and translational safety. In translational toxicology, 3D LiMTs have a high i...
    Speaker: Armin Wolf, PhD
    Presented at: Drug Discovery & Development Virtual Event Series 2020
    1
    JAN 01, 2020 | 6:00 AM
    Uncovering the mechanism of stress-resistant DNA replication in cancer cells using a modern single-molecule technique
    Uncovering the mechanism of stress-resistant DNA replication in...
    Accurate DNA replication is essential to transmit the genetic information from one generation to another. However, replication is frequently challenged by barriers that originate from exogen...
    Speaker: Chames Kermi, PhD, PharmD
    Presented at: Drug Discovery & Development Virtual Event Series 2020
    1
    JAN 01, 2020 | 6:00 AM
    Investigating the roles of the  Hsp90 co-chaperone, STI1, in neuronal resilience during aging
    Investigating the roles of the Hsp90 co-chaperone, STI1, in neuronal...
    Chaperone networks are dysregulated with aging, but whether compromised Hsp70/Hsp90 chaperone function disturbs neuronal resilience is unknown. Stress‐inducible phosphoprotein 1 (STI1; STIP1...
    Speaker: Rachel Lackie, HBSc.
    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
    JAN 01, 2020 | 6:00 AM
    Deciphering the spreading of neuropathologies in neuronal circuits using a high capacity microfluidics platform
    Deciphering the spreading of neuropathologies in neuronal circuits...
    Misfolded and accumulated neurodegenerative disease associated proteins (NDAPs, such as tau and alpha-synuclein) represent the major pathological hallmark in Alzheimer’s and Parkinson&...
    Speaker: Sebastian Illes, PhD
    Presented at: Neuroscience Virtual Event Series 2020
    1
     
     
  • JAN 01, 2020 | 6:00 AM
    Organoids: A Revolutionary New Tool for Drug Screening
    Organoids: A Revolutionary New Tool for Drug Screening
    “The poor translatability of early-stage preclinical models is a major setback in oncology drug development. Immortalized cell lines, that are extensively used in drug screens, undergo...
    Speaker: Rekha Pal, PhD
    Presented at: Drug Discovery & Development Virtual Event Series 2020
    1
    JAN 01, 2020 | 6:00 AM
    Microfabricated Human Liver Tissues for Drug Development
    Microfabricated Human Liver Tissues for Drug Development
    The liver plays a critical role in the metabolism and clearance of more than 70% of marketed drugs. Furthermore, toxicity to the liver is a major reason for preclinical and clinical drug fai...
    Speaker: Salman Khetani, PhD
    Presented at: Drug Discovery & Development Virtual Event Series 2020
    1
    JAN 01, 2020 | 6:00 AM
    Using 3D cell culture models and high content confocal imaging to evaluate efficacy and expose toxic liabilities in the drug development pipeline
    Using 3D cell culture models and high content confocal imaging...
    With an increasing push to improve safety, efficacy, and efficiency throughout the drug development pipeline, researchers are evermore looking to improve the predictive capacity of their in...
    Speaker: Erin Edwards, PhD
    Presented at: Drug Discovery & Development Virtual Event Series 2020
    1
    DEC 04, 2019 | 7:00 AM
    Improve your reproducibility - Liquid Handling is a crucial factor Exemplarily shown for NGS, ELISA and qPCR
    Improve your reproducibility - Liquid Handling is a crucial factor...
    DATE: December 4, 2019TIME: 7:00am PST, 10:00am EST, 4:00pm CET Do you know how it feels when you just quickly want to redo an experiment that your colleague did, or an experim...
    Speaker: Katja Baesler, PhD , Ulrike Gast, PhD , Alisa Gruschka
    Sponsored By: Eppendorf
    12
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