Related Experiment Video
Updated: Nov 15, 2025

05:50
Pharmacophore Modeling for Targets with Extensive Ligand Libraries: A Case Study on SARS-CoV-2 Mpro
Published on: September 26, 2025
746
What is the role of cheminformatics in a pandemic?
Rajarshi Guha1, Egon Willighagen2, Barbara Zdrazil3
1Vertex Pharmaceuticals, 50 Northern Ave, Boston, MA, 02210, USA. rajarshi_guha@vrtx.com.
Journal of Cheminformatics
|March 3, 2021
Abstract
No abstract available in PubMed .
Related Concept Videos
Steps in Outbreak Investigation
326
In the ever-evolving field of public health, statistical analysis serves as a cornerstone for understanding and managing disease outbreaks. By leveraging various statistical tools, health professionals can predict potential outbreaks, analyze ongoing situations, and devise effective responses to mitigate impact. For that to happen, there are a few possible stages of the analysis:
326
Drug Discovery: Overview
10.4K
Drug discovery is a multifaceted process involving extensive screening, testing, and optimization of lead compounds to identify potential new drugs for therapeutic use. It combines several approaches, including screening large numbers of natural products, chemical modification of known active molecules, identification of new drug targets, and rational design based on biological mechanisms and drug-receptor structure. These approaches are carried out in both academic research laboratories and...
10.4K
Structure-Activity Relationships and Drug Design
1.4K
Drug design is a dynamic field that involves discovering and developing new medications based on specific biological targets. This process heavily relies on structure-activity relationships (SAR) and quantitative structure-activity relationships (QSAR) to guide the design and optimization of efficient drugs.
SAR studies the intricate relationship between a drug's chemical structure and biological activity. It focuses on understanding how modifications to a drug's structure can influence...
SAR studies the intricate relationship between a drug's chemical structure and biological activity. It focuses on understanding how modifications to a drug's structure can influence...
1.4K

