Tackling the conformational sampling of larger flexible compounds and macrocycles in pharmacology and drug discovery
Author:
Publisher
Elsevier BV
Subject
Organic Chemistry,Clinical Biochemistry,Drug Discovery,Pharmaceutical Science,Molecular Biology,Molecular Medicine,Biochemistry
Reference72 articles.
1. Small Molecule Conformational Preferences Derived from Crystal Structure Data. A Medicinal Chemistry Focused Analysis
2. Strong Conformational Preferences of Heteroaromatic Ethers and Electron Pair Repulsion
3. E/Z Energetics for Molecular Modeling and Design
4. Short Nonbonded Contact Distances in Organic Molecules and Their Use as Atom-Clash Criteria in Conformer Validation and Searching
5. Chemical consequences of conformation in macrocyclic compounds
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