Literature DB >> 26852934

Measurement, Interpretation and Use of Free Ligand Solution Conformations in Drug Discovery.

Charles D Blundell1, Thorsten Nowak1, Martin J Watson1.   

Abstract

Keywords:  Cambridge Structural Database; Conformation; Conformational analysis; Conformational design; Conformational preference; Conformational selection; Conformer; Conformetrics; Ligand-based drug design; Nuclear magnetic resonance; Protein Data Bank; Rational drug design; Stereoelectronic effect; Torsional preferences

Mesh：

Substances：

Year:  2016        PMID： 26852934     DOI： 10.1016/bs.pmch.2015.10.003

Source DB:  PubMed          Journal:  Prog Med Chem        ISSN： 0079-6468


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  3 in total

1.  Conformational ensemble comparison for small molecules in drug discovery.

Authors:  Matthew Habgood
Journal:  J Comput Aided Mol Des       Date:  2018-07-09       Impact factor: 3.686

2.  The Shapes of Sulfonamides: A Rotational Spectroscopy Study.

Authors:  Annalisa Vigorito; Camilla Calabrese; Assimo Maris; Donatella Loru; Isabel Peña; M Eugenia Sanz; Sonia Melandri
Journal:  Molecules       Date:  2022-04-28       Impact factor: 4.411

3.  Aromatic Rings Commonly Used in Medicinal Chemistry: Force Fields Comparison and Interactions With Water Toward the Design of New Chemical Entities.

Authors:  Marcelo D Polêto; Victor H Rusu; Bruno I Grisci; Marcio Dorn; Roberto D Lins; Hugo Verli
Journal:  Front Pharmacol       Date:  2018-04-24       Impact factor: 5.810
  3 in total

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