Advanced Small-Molecule Docking

The webinar covers advanced docking workflows encountered in drug discovery projects and includes a range of related topics from the application of pharmacophore constraints in docking to the analysis of protein-ligand interaction fingerprints (PLIF) generated from docked poses. The docking workflows that describes will focus on: 1. general docking with applied pharmacophore constraints, 2. template-based docking using a scaffold or fragment to guide placement, and 3. covalent docking to generate, rank and and score ligands that are covalently bound to a protein/receptor.

[link]video.chemcomp[d]com/watch/6dGEChdi82ZfRr1XrV1JrYQ?second=175&autoplay=1[label]2:55 Understanding the Docking Interface in MOE [link end]
[link]video.chemcomp[d]com/watch/6dGEChdi82ZfRr1XrV1JrY?second=359&autoplay=1[label]5:59 Self-Docking [link end]
[link]video.chemcomp[d]com/watch/6dGEChdi82ZfRr1XrV1JrY?second=537&autoplay=1[label]8:57 Exploring docking options [link end]
[link]video.chemcomp[d]com/watch/6dGEChdi82ZfRr1XrV1JrY?second=902&autoplay=1[label]15:02 Advanced docking with multiple ligands [link end]
[link]video.chemcomp[d]com/watch/6dGEChdi82ZfRr1XrV1JrY?second=1587&autoplay=1[label]26:27 Template-Based docking [link end]
[link]video.chemcomp[d]com/watch/6dGEChdi82ZfRr1XrV1JrY?second=1953&autoplay=1[label]32:33 Pharmacophore-Based docking [link end]
[link]video.chemcomp[d]com/watch/6dGEChdi82ZfRr1XrV1JrY?second=2446&autoplay=1[label]40:46 Covalent docking [link end]

Airdate: September 6, 2018

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