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Results 37 results

Title Keywords Workshop Files Additional Resources Product(s) Referenced
Introduction to Maestro for Materials Science Iridium (III) Complexes, organic light emitting diodes, OLED, Ligand Design, Periodic Cells, Polymers, Ligand Structural Alignment HTML, PDF Maestro
Small Molecule Membrane Permeability Workshop Tutorial membrane permeability, ADME prediction, Prime PDF Seminars Prime Membrane Permeability
Polymer Property Prediction with the Materials Science Suite polymer, thermosetting plastics, elasticity, coefficient of thermal expansion, glass transition temperature PDF
Covalent Docking with CovDock covalent docking, lead optimization, pose prediction, virtual screening, custom reaction, Prime, glide PDF Glide Prime CovDock
Building a Coarse-Grained Surfactant Model with Martini Force Field Workshop Tutorial Coarse grained Particle Dynamics, Surfactant, coarse-grained, mesoscale, Martini force field PDF
pKa Predictions with Jaguar pKa Workshop Tutorial pKa, ​DFT-based, ​Jaguar, ​micro, ​macroa HTML PDF Videos, Seminars Jaguar
Identifying Binding Site Requirements and Hit-to-Lead with WaterMap Lead-optimization, WaterMap, Molecular Mechanics, Congeneric series, MMGBSA PDF WaterMap
Conformational Analysis for Small Molecules using Macromodel/ConfGen scan​ ​torsions, ​​conformations, ​clustering, ​optimization, ​contour, linker-atom, ​energy​ ​barrier, ​small​ ​molecule HTML, PDF Seminars MacroModel ConfGen
Building a Coarse-Grained PCBM Model coarse-grained, mesoscale, Lennard-Jones potential PDF
Antibody Visualization and Modeling in BioLuminate Workshop Tutorial biologics, structure prediction and analysis, antibody PDF Videos, Seminars BioLuminate