ReviewFrontiers in pharmacology2018
Bridging Molecular Docking to Molecular Dynamics in Exploring Ligand-Protein Recognition Process: An Overview.
Review in Frontiers in pharmacology, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 230 papers, 2 of them syntheses that pooled it.
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
230 citing papers in PubMed, 2 syntheses or guidelines pooled it.
- Ligand and structure-based virtual screening approaches in drug discovery: minireview.Molecular diversity · 2025Pooled it
- Proteins and Peptides Studied In Silico and In Vivo for the Treatment of Diabetes Mellitus: A Systematic Review.Nutrients · 2024Pooled it
- Design, synthesis and network pharmacology-integrated evaluation of benzenesulfonamides as potential Dickkopf-1 (Dkk-1)-targeting anticancer candidates.RSC advances · 2026Article
- Optimization and Metabolomic Profiling ofInternational journal of molecular sciences · 2026Article
- Probe-Atom Distributions Obtained from Mixed-Solvent Molecular Dynamics Improve the Scoring of Docking Calculations.Journal of chemical information and modeling · 2026Article
- Big Data and Artificial Intelligence in Cancer Drug Discovery: Promise, Challenges, and Emerging Opportunities.Cancers · 2026Review
- Chemical Profiling and Antimicrobial Activity of the Leaf Essential Oil ofInternational journal of molecular sciences · 2026Article
- Structural and Antioxidant Comparison Between Native WPI and WPI-Resveratrol Non-Covalent Complex.Antioxidants (Basel, Switzerland) · 2026Article
- Unexpected Synthesis of a Furoxan Derivative from 3-Acetyl-2,4,6-Trimethylpyridine: Structural Characterization and Biological Evaluation.Molecules (Basel, Switzerland) · 2026Article
- Benchmarking Docking Protocols on Predicting Alternative Binding Modes.Journal of chemical information and modeling · 2026Article
- Design and Synthesis of Novel Bioactive Squamolone Derivatives Targeting Carbonic Anhydrase and Acetylcholinesterase Enzymes.ACS omega · 2026Article
- In Silico Drug Repositioning Identifies SYK Kinase Inhibitors as Potential Neuroprotective Agents for Ataxia-Telangiectasia.Chemical biology & drug design · 2026Article
- Molecular Docking of Natural Compounds as DPP-4 Inhibitors in Type 2 Diabetes: A Comprehensive Review.Pharmaceutics · 2026Review
- Review
- Structuring Disorder via Supervised Molecular Dynamics: Uncovering Arginine-Glycine-Glycine-Mediated Ribonucleic Acid-Intrinsically Disordered Region Recognition Mechanisms.Journal of chemical information and modeling · 2026Article
- Inhibiting NHEJ: In-Silico Approach to Stratifying DNA-PK Inhibitors, Predicting Radio-Halogenation Potential of DNA-PK Inhibitors, and Assessing AlphaFold2 Prediction Accuracy.Bioengineering (Basel, Switzerland) · 2026Article
- Quantum computing applications in drug discovery.Briefings in bioinformatics · 2026Review
- FMOPhore for hotspot identification and efficient fragment-to-lead growth strategies.Nature communications · 2026Article
- Binding Affinity and Interaction Profiles of Erinacines and Erinacerins with iNOS and NF-International journal of molecular sciences · 2026Article
- Identification of Potential Candidates with Antimicrobial Activity Against Antibiotic-ResistantInternational journal of molecular sciences · 2026Article
170 more citing papers are in PubMed but not listed here.
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.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Computational techniques have been applied in the drug discovery pipeline since the 1980s. Given the low computational resources of the time, the first molecular modeling strategies relied on a rigid view of the ligand-target binding process. During the years, the evolution of hardware technologies has gradually allowed simulating the dynamic nature of the binding event. In this work, we present an overview of the evolution of structure-based drug discovery techniques in the study of ligand-target recognition phenomenon, going from the static molecular docking toward enhanced molecular dynamics strategies.
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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.