ReviewTrends in biotechnology2011
Computational design of protein-ligand interfaces: potential in therapeutic development.
Review in Trends in biotechnology, 2011. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 papers.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
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.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
9 citing papers in PubMed.
- Synergistic acceleration of machine learning and molecular docking for prostate-specific antigen ligand design.RSC advances · 2024Article
- Computational Redesign of an ω-Transaminase fromACS catalysis · 2021Article
- Approaching protein design with multisite λ dynamics: Accurate and scalable mutational folding free energies in T4 lysozyme.Protein science : a publication of the Protein Society · 2018Article
- An Evaluation of the Potential of NMR Spectroscopy and Computational Modelling Methods to Inform Biopharmaceutical Formulations.Pharmaceutics · 2018Review
- Insights from molecular dynamics simulations for computational protein design.Molecular systems design & engineering · 2017Article
- Rosetta and the Design of Ligand Binding Sites.Methods in molecular biology (Clifton, N.J.) · 2016Article
- Binding pocket optimization by computational protein design.PloS one · 2012Article
- RETRACTED: Two birds with one stone? Possible dual-targeting H1N1 inhibitors from traditional Chinese medicine.PLoS computational biology · 2011Article
- Determination of binding kinetics using whispering gallery mode microcavities.Applied physics letters · 2011Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
3 authors.
Funding
Abstract
Computational design of protein-ligand interfaces finds optimal amino acid sequences within a small-molecule binding site of a protein for tight binding of a specific small molecule. It requires a search algorithm that can rapidly sample the vast sequence and conformational space, and a scoring function that can identify low energy designs. This review focuses on recent advances in computational design methods and their application to protein-small molecule binding sites. Strategies for increasing affinity, altering specificity, creating broad-spectrum binding, and building novel enzymes from scratch are described. Future prospects for applications in drug development are discussed, including limitations that will need to be overcome to achieve computational design of protein therapeutics with novel modes of action.
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What OpenQuestion holds
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.