Multiscale Modeling for Biotherapeutics Symposium, Online

May 6, 2021

     
Symposium Organizers:
- Christopher J. Roberts, Chemical and Biomolecular Engineering, University of Delaware
- Jianing Li, Chemistry, University of Vermont
- Severin Schneebeli, Chemistry, University of Vermont
- John Shelley, PhD, Fellow, Schrödinger


Description:
We hope you'll take the opportunity to join us for the virtual Multiscale Modeling for Biotherapeutics Symposium co-sponsored by Schrödinger and the Biomolecular Interaction Technologies Center (BITC). The symposium began on October 22nd and has been extended through May 6th, 2021. The symposium will feature presentations and Q&A sessions from speakers in both academia and industry. 
 

Previous PresentationsSession and Q&A

Multiple Scales Molecular Dynamics Simulations of Bacterial Membranes (View Recording)
Syma Khalid, University of Southampton

Biomolecular Design with Martini Model: From Small-molecules to Lipid Nanoparticles (View Recording)
Paulo Telles de Souza, CNRS (National Centre for Scientific Research, France)

Rational Coarse Grained Modeling of Supramolecular Anticancer Nanotubes (View Recording)
Sharon Loverde, City University of New York

Molecular Simulations of Nascent Lipid Droplets (View Recording)
Luca Monticelli, CNRS (National Centre for Scientific Research, France)

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Models for Liquid-liquid Phase Separation of Intrinsically Disordered Proteins (View Recording)
Wenwei Zheng, Arizona State University

When can Simplified Models be used for Describing Protein Solution Behaviour? (View Recording)
Robin Curtis, University of Manchester

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Deep Markov Models versus Covid-19 (View Recording)
Frank Noe, Freie U. Berlin

Improving the Stability of RNA Therapeutics through Biophysics, Machine Learning, and Crowdsourcing (View Recording)
Hannah Katherine Wayment-Steele, Stanford University

Machine Learning-driven Multiscale Modeling, a Next Generation Simulation Infrastructure Showcased on a RAS-RAF Biology Application (View Recording)
Helgi Ingolfur Ingolfsson, LLNL, on behalf of the Joint Design of Advanced Computing Solutions for Cancer, Pilot 2 Team 
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Multiscaling the CRISPR-Cas Revolution from Genome Editing to Viral Detection (View Recording)
Giulia Palermo, U.C. Riverside

Multiscale Modelling of DNA Compaction (View Recording)
Alexander Lyubartsev, Stockholm University

Multiscale Modelling of Chromatin Liquid-liquid Phase Separation (View Recording)
Rosana Collepardo-Guevara, University of Cambridge 
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A Reassessment of the Thermodynamic Forces that Stabilize Folded Protein Conformations in Aqueous Solutions (View Recording)
Prof. Dilip Asthagiri, Rice University

Modelling Amyloid Formation and Replication (View Recording)
Prof. Andela Šarić, University College London

The Role of Fluctuations in Protein Binding (View Recording)
Prof. Marina Guenza, University of Oregon 
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Leveraging Molecular Modeling in the Selection of Protein-Drug Candidates for Late-Stage Developability
Dr. Marco Blanco, Merck & Co (View Recording)

Increasing Complexity in Computer Simulations of Biological Membranes
Dr. Peter Tieleman, University of Calgary (View Recording)

Understanding the Effects of Ionizable Lipids on a Lipid Nanoparticle Surface by Coarse-grained Molecular Dynamics Simulations
Dr. Sreyoshi Sur, Moderna (View Recording)
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New Approaches for Modeling Protein Aggregation and Solvation (View Recording)
Prof. Ken Dill, Stony Brook University

Using Molecular Modeling to Guide Biotherapeutics Formulation (View Recording)
Dr. Dariush Mohammadyani, Johnson & Johnson

Chemical Degradation in Therapeutic Proteins: Insights from Microsecond Molecular Dynamics and QM Calculations (View Recording)
Dr. Saeed Izadi, Genentech

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Membrane Protein/Lipid Interactions as Viewed by Molecular Simulations: GPCRs & Ion Channels (View Recording)
Prof. Mark Sansom, Oxford University

Uncovering the Hidden Gates of Complex Ion Channels (View Recording)
Prof. Jianhan Chen, University of Massachusetts Amherst

Prospect of High-Throughput Drug Screening with the Martini Model (View Recording)
Prof. Siewert J. Marrink, University of Groningen

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Multiscale Molecular Dynamics Simulations and Machine Learning for Antimicrobial Peptides Study (View Recording)
Song Chen, Peking University

What Makes a Good Pore Forming Peptide (View Recording)
Themis Lazaridis, CUNY

Precision Antimicrobial Peptide Design (View Recording)
Jianing Li, University of Vermont

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Coarse-Grained Molecular Models for Predicting Electrostatic Protein Self-Interactions and the Role of Multi-Residue Interactions (View Recording)
Prof. Chris Roberts, U. Delaware and the Biomolecular Interaction Technologies Center (BITC)

Molecular Association on Surface with Widely Varied Properties: Insights from DNA Biosensor and Amyloid Peptide Aggregation (View Recording)
Prof. Chia-en Chang, UC Riverside

The Mechanism of Amyloid Aggregation (View Recording)
Prof. Jeremy Schmit, Kansas State University

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Effect of Ion Binding and Ion Exclusion on Biomolecular Interactions: Multiscale Simulations of Crowded Protein Solutions (View Recording)
Featuring Prof. Mikael Lund, Lund University

Modeling Excipient Concentration at the End of Tangential Flow Filtration (View Recording)
Featuring Dr. Masano Huang, Bristol-Myers Squibb

Calculating Viscosities of Concentrated Protein Solutions (View Recording)
Featuring Dr. John Shelley, Schrödinger

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Interested in learning more? Find upcoming webinars and past recordings on our webinars page.