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We would like to thank all those who attended the UGM & Conference 2019. We appreciate the time you took out of your busy schedules to help make this event a success! We look forward to seeing you again next year.

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In silico Modeling of PROTAC-Mediated Ternary Complexes for Predicting Protein Degradation
Michael Drummond, Scientific Applications Manager, Chemical Computing Group
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Modeling Protein Properties using pH-dependent Conformational Sampling
John Gunn, Senior Research Scientist, Chemical Computing Group
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Water: Essential for Life and by Extension Drug Discovery
Daniel McKay, Investigator, Novartis
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Structure Based Optimization Of TYK2 Pseudokinases Inhibitors From A DNA Encoded Library
Ninad Prabhu, Investigator, Medicine Design, GlaxoSmithKline
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Helping Victims, Reforming Perpetrators using Rational Design
Roy Vaz, Consultant, Institute for Neurodegenerative Diseases, UCSF
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Predicting Protein-Protein Binding Sites and Epitope Mapping
Steven Acoca, Chemical Computing Group
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Organizing 3D Project Data for Structure-Based Drug Design
Howard Feldman, Chemical Computing Group
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Problem-Based Learning with MOE
Guillaume Fortin, Chemical Computing Group
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MOE Project and Protein Family Modeling
MOE project / database management / specialized protein families / project search
33MB
Structure-Based Drug Design and Ligand Modification
Molecular Surfaces and Maps / Ligand Interactions / Docking / Ligand Optimization / Ligand Selectivity / Protein Alignments and Superposition
14MB
Cheminformatics and QSAR
MOE databases / Calculated Descriptors / Fingerprints / QSAR Modeling / Binary QSAR / Similarity Searching / Consensus Modeling
23MB
Introduction to SVL
SVL Concepts / Scripts for Moe/Batch / Test New Ideas/Hypotheses / Customize MOE / Programming Techniques / Window Toolkit / Descriptors and Fingerprints / Interactive Problem Solving
11MB
PSILO: A Protein-Ligand Structural Information Repository for Searching and Managing Public and Private Data
Macromolecular repository / 3D query searching / pocket similarity / display electron density / central repository / Specialized protein databases
43MB
Peptide Modeling, Conformational Searching and Docking
Structure preparation / Non-natural amino acids / Conformational searching / Distance restraints / Peptide-protein docking / Protein-ligand interaction fingerprints
36MB
Advanced Structure-Based Drug Design
Pharmacophore Modeling / Docking / Fragment-based Design / Scaffold Replacement / R-Group Screening / Project Search / Protein-Ligand Interaction Fingerprints
27MB
Antibody Modeling and Protein Engineering
Protein Engineering / Protein Properties / Developability / Hot Spot Analysis / Antibody Modeling / Humanization / Molecular Surfaces
16MB
Ligand-Based Drug Design and SAR Analysis
MOEsaic / R-Group Profiles and Analysis / MMP Analysis / Similarity and Substructure Searching / Descriptor Calculations / Conformational Searching / Molecular Alignments / Pharmacophore Modeling and Searching
41MB
Protein Alignments and Homology Modeling
Sequence and structure alignments / Template selection / Building and refining homology models
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Biologics: Protein Alignments, Modeling and Docking
Protein Alignments and Superposition / Loop and Linker Modeling / Homology Modeling / Protein- Protein Docking / Protein Solubility Analysis / 2D Hot Spot Mapping / PLIF / Biologics QSAR Modeling
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Small Molecule Virtual Screening
MOE Databases / Descriptors / Fingerprints / QSPR Modeling / Pharmacophore Modeling / Template-Forced Docking / Scaffold Replacement / MedChem Transformations
279MB