E-pharmacophore schrodinger manual

E-pharmacophore based database screening E-pharmacophores that are validated were considered for shape screening. Shape based similarity screening was performed using PHASE module of Schrodinger for the multiple e-pharmacophore models generated with the selected features []. Flexible search was. The Schrödinger Platform. Unleash the possibilities of molecular design with a digital chemistry platform that is governed by physics, amplified by machine learning, and optimized through team-based intelligence. e-Pharmacophores allow for excluded volumes that correspond to regions of space that are occupied by the receptor. Single and fragment modes: Single-mode is suited to generating e-Pharmacophores from the co-crystal or docked pose of a known ligand in the target receptor.

graphical interface, so they can be imported into the applications Advanced Pharmacophore Screening, Simplified Pharmacophore Modeling and Screening, and Manage Pharmacophore Hypotheses. It is strongly recommended that users first examine the Phase User Manual or Quick Start Guide. Contents MacroModel User Manual vii Angles Contents Phase User Manual vii Filtering the Structures

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