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Journal of Medicinal Chemistry is a peer-reviewed journal published by American Chemical Society, covering Receptor Mechanisms and Signaling, Synthesis and biological activity, Synthesis and Biological Evaluation. Over its lifetime it has published 40,763 papers, which have received 1,971,486 citations.
| Publisher | American Chemical Society |
|---|---|
| Reference style | Superscript numbered (ACS) Superscript — small raised numerals in the text (1) Smith, A.; Jones, B.; Lee, C. A Representative Article Title. Journal of Medicinal Chemistry 2023, 12, 45–58.
Formats any DOI in Journal of Medicinal Chemistry style. No sign-up. |
| Publishes research in | Receptor Mechanisms and Signaling Synthesis and biological activity Synthesis and Biological Evaluation Chemical Synthesis and Analysis Computational Drug Discovery Methods |
| ISSN | 0022-2623 |
| Citation impact (2-yr) | 6.81 |
| h-index | 370 |
| i10-index | 30,547 |
| Top institutions publishing here | Centre National de la Recherche Scientifique |
| Journal website | pubs.acs.org |
| You get | A submission-ready PDF and the editable LaTeX source — ready to submit. |
Citations each year’s papers have accumulated so far — the most recent years are still building up.
Unlike other methods for docking ligands to the rigid 3D structure of a known protein receptor, Glide approximates a complete systematic search of the conformational, orientational, and positional space of the docked ligand. In this search, an initial rough positioning and scoring phase that dramatically narrows the search space is followed by torsionally flexible energy…
Oral bioavailability measurements in rats for over 1100 drug candidates studied at SmithKline Beecham Pharmaceuticals (now GlaxoSmithKline) have allowed us to analyze the relative importance of molecular properties considered to influence that drug property. Reduced molecular flexibility, as measured by the number of rotatable bonds, and low polar surface area or total hydrogen bond count…
A novel scoring function to estimate protein-ligand binding affinities has been developed and implemented as the Glide 4.0 XP scoring function and docking protocol. In addition to unique water desolvation energy terms, protein-ligand structural motifs leading to enhanced binding affinity are included: (1) hydrophobic enclosure where groups of lipophilic ligand atoms are enclosed on opposite…
Nitrogen heterocycles are among the most significant structural components of pharmaceuticals. Analysis of our database of U.S. FDA approved drugs reveals that 59% of unique small-molecule drugs contain a nitrogen heterocycle. In this review we report on the top 25 most commonly utilized nitrogen heterocycles found in pharmaceuticals. The main part of our analysis is…
Drug development has a high attrition rate, with poor pharmacokinetic and safety properties a significant hurdle. Computational approaches may help minimize these risks. We have developed a novel approach (pkCSM) which uses graph-based signatures to develop predictive models of central ADMET properties for drug development. pkCSM performs as well or better than current methods. A…
