Fields- Workshop on the Mathematics of Drug Design/Discovery
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Title: Physiological Modeling of Heart Failure
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Title: Big Data and Biophysics
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Title: Integrating topology and machine learning for drug design and discovery
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Title: A pose prediction approach based on ligand 3D shape similarity
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Title: Cosolvent Molecular Dynamics Simulations
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Title: Accurate methods for protein-ligand binding free energies
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Title: Screening an almost unbounded chemical space for novel ligands with novel GPCR pharmacology
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Title: Targeting protein-DNA interactions with small molecules
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Title: Emerging challenges in targeting disordered proteins: Lessons learned from targeting p27
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Title: Modeling, Design and Engineering of Allosteric Regulatory Mechanisms Mediated by Molecular Chaperones in Signal Transduction Networks: An Integrative Platform of Computational Systems Biology, Network Science and Machine Learning Approaches
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Title: A Data-driven approach to drug discovery: from machine learning to deep learning
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Title: Computational Drug Design for Metastatic Bladder Cancer Using Tubulin as a Target
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Title: Manifold learning for virtual screening and drug-target binding affinity predictions
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Title: Challenges of Rapid Computational Protein Docking
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Title: High-Performance Computing and Computational Polypharmacology: Opportunities and Obstacles
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Title: How inhibitors bind to hSGLT sugar transporters.
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Title: Structure Conforming Continuum Modeling of Biomolecular Conformational Dynamics
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Title: Efficient sampling and optimization on manifolds for macromolecular docking
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