High-Throughput Virtual Screening

Docking-based and ultra-large library virtual screens for drug and materials discovery.


frontier tier

High-Throughput Virtual Screening — Docking-based and ultra-large library virtual screens for drug and materials discovery. This page is a placeholder while frontier-paper sourcing is deferred to a follow-up OpenAlex wave.

The topic sits in the Charted science tree as a child of chemistry/theoretical-and-computational-chemistry and will be expanded once curated primary sources have been gathered. A foundational reference for this area is Introduction to Computational Chemistry (Jensen, 2017).

Prerequisites

Sources

  • textbook · primary · 2017
    Introduction to Computational Chemistry
    jensen-2017

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