ReviewDrug discovery today. Technologies2013
Induced fit docking, and the use of QM/MM methods in docking.
Review in Drug discovery today. Technologies, 2013. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 17 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.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
17 citing papers in PubMed.
- Brain Permeable SGK1 Inhibitors: A Promising Therapeutic Strategy for Neurodegenerative Diseases.Journal of medicinal chemistry · 2026Article
- Long-Chain Cyclic Arylguanidines as Multifunctional Serotonin Receptor Ligands with Antiproliferative Activity.ACS omega · 2025Article
- In-silico guided chemical exploration of KDM4A fragments hits.Clinical epigenetics · 2023Article
- Tuning the Biological Activity of PI3KMolecules (Basel, Switzerland) · 2023Article
- Computational identification of potential inhibitors targetingFrontiers in chemistry · 2023Article
- Anti-cancer potency by induced apoptosis by molecular docking P53, caspase, cyclin D1, cytotoxicity analysis and phagocytosis activity of trisindoline 1,3 and 4.Saudi pharmaceutical journal : SPJ : the official publication of the Saudi Pharmaceutical Society · 2022Article
- Three-Dimensional Modeling of Thyroid Hormone Metabolites Binding to the Cancer-Relevant αvβ3 Integrin:Frontiers in endocrinology · 2022Article
- Computational approaches for drug discovery against trypanosomatid-caused diseases.Parasitology · 2020Review
- Molecular Informatics Studies of the Iron-Dependent Regulator (ideR) Reveal Potential Novel Anti-Molecules (Basel, Switzerland) · 2019Article
- The Light and Dark Sides of Virtual Screening: What Is There to Know?International journal of molecular sciences · 2019Review
- Current computational methods for predicting protein interactions of natural products.Computational and structural biotechnology journal · 2019Review
- Article
- Docking-based inverse virtual screening: methods, applications, and challenges.Biophysics reports · 2018Review
- Chalcone Derivatives: Promising Starting Points for Drug Design.Molecules (Basel, Switzerland) · 2017Review
- Quantum mechanics implementation in drug-design workflows: does it really help?Drug design, development and therapy · 2017Review
- Modern approaches to accelerate discovery of new antischistosomal drugs.Expert opinion on drug discovery · 2016Review
- Molecular docking and structure-based drug design strategies.Molecules (Basel, Switzerland) · 2015Review
Corrections and comments
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Authors and funding
2 authors.
Funding
Abstract
Docking methods are popular computational techniques in drug discovery to identify new active molecules that bind to a given biological target. Although widely used, the predictive reliability of docking methods is often limited by the inability to accurately and efficiently model protein flexibility and quantify binding strength. We highlight several emerging concepts that address those methodological issues including a discussion on the incorporation of QM/MM methodologies in the scoring process.
Indexed as
Identifiers
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.