ArticleJournal of computational chemistry2017
Unfavorable regions in the ramachandran plot: Is it really steric hindrance? The interacting quantum atoms perspective.
Article in Journal of computational chemistry, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 11 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
11 citing papers in PubMed, 28 citations in OpenAlex.
- Inhibitory Activity of LDT10 and LDT119, New Saturated Cardanols, AgainstPharmaceuticals (Basel, Switzerland) · 2025Article
- Mechanism of controlled radical initiation in radical SAM GTP 3',8-cyclase.Proceedings of the National Academy of Sciences of the United States of America · 2025Article
- Molecular dynamic simulations to assess the structural variability of ClpV fromFrontiers in bioinformatics · 2025Article
- Linking the Interatomic Exchange-Correlation Energy to ExperimentalThe journal of physical chemistry. A · 2023Article
- Proteome level analysis of drug-resistantFrontiers in microbiology · 2023Article
- Computer-aided genomic data analysis of drug-resistantFrontiers in cellular and infection microbiology · 2023Article
- Interacting Quantum Atoms-A Review.Molecules (Basel, Switzerland) · 2020Review
- The hot sites of α-synuclein in amyloid fibril formation.Scientific reports · 2020Article
- The characterization of Thermotoga maritima Arginine Binding Protein variants demonstrates that minimal local strains have an important impact on protein stability.Scientific reports · 2019Article
- A fully analytical integration of properties over the 3D volume of the β sphere in topological atoms.Journal of computational chemistry · 2018Article
- Unfavorable regions in the ramachandran plot: Is it really steric hindrance? The interacting quantum atoms perspective.Journal of computational chemistry · 2017Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
2 authors at 1 institution in 2 countries.
Funding
Abstract
Accurate description of the intrinsic preferences of amino acids is important to consider when developing a biomolecular force field. In this study, we use a modern energy partitioning approach called Interacting Quantum Atoms to inspect the cause of the φ and ψ torsional preferences of three dipeptides (Gly, Val, and Ile). Repeating energy trends at each of the molecular, functional group, and atomic levels are observed across both (1) the three amino acids and (2) the φ/ψ scans in Ramachandran plots. At the molecular level, it is surprisingly electrostatic destabilization that causes the high-energy regions in the Ramachandran plot, not molecular steric hindrance (related to the intra-atomic energy). At the functional group and atomic levels, the importance of key peptide atoms (O
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.