Molecular Dynamics in ICM Pro - Enhancing Virtual Screening Hits
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Learn how to implement OpenMM Molecular Dynamics within MolSoft's ICM-Pro software to enhance virtual screening hit lists in this 12-minute tutorial. Discover techniques for improving the quality and reliability of virtual screening results through molecular dynamics simulations, exploring how dynamic molecular behavior can refine and validate computational drug discovery workflows. Master the integration of molecular dynamics capabilities into your virtual screening pipeline to better assess binding poses, account for protein flexibility, and prioritize promising compounds with greater confidence.
Syllabus
Molecular Dynamics in ICM Pro Enhancing Virtual Screening Hits
Taught by
MolSoft Molecules in Silico