ReviewCurrent opinion in pharmacology2010
Computer-aided drug-discovery techniques that account for receptor flexibility.
Review in Current opinion in pharmacology, 2010. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 34 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
34 citing papers in PubMed.
- Sartans and Bisartans: Expanding Therapeutic Horizons Through Broad Receptor Interactions and Repurposing Potential.International journal of molecular sciences · 2026Review
- In Silico Prediction and Validation of the Permeability of Small Molecules Across the Blood-Brain Barrier.International journal of molecular sciences · 2026Article
- A virtual screening and molecular dynamics approach in search of novel antibiotic chemotypes.PloS one · 2026Article
- Navigating the complexity of p53-DNA binding: implications for cancer therapy.Biophysical reviews · 2024Review
- Molecular Dynamics as a Tool for Virtual Ligand Screening.Methods in molecular biology (Clifton, N.J.) · 2024Article
- Worth the Weight: Sub-Pocket EXplorer (SubPEx), a Weighted Ensemble Method to Enhance Binding-Pocket Conformational Sampling.Journal of chemical theory and computation · 2023Article
- Worth the weight: Sub-Pocket EXplorer (SubPEx), a weighted-ensemble method to enhance binding-pocket conformational sampling.bioRxiv : the preprint server for biology · 2023Article
- Synthesis, spectroscopic findings, SEM/EDX, DFT, and single-crystal structure of Hg/Pb/Cu-SCN complexes:Heliyon · 2023Article
- Artificial intelligence and machine-learning approaches in structure and ligand-based discovery of drugs affecting central nervous system.Molecular diversity · 2023Review
- Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning.Journal of chemical information and modeling · 2021Article
- Fragment Pose Prediction Using Non-equilibrium Candidate Monte Carlo and Molecular Dynamics Simulations.Journal of chemical theory and computation · 2020Article
- PCAViz: An Open-Source Python/JavaScript Toolkit for Visualizing Molecular Dynamics Simulations in the Web Browser.Journal of chemical information and modeling · 2019Article
- Cryptic pocket formation underlies allosteric modulator selectivity at muscarinic GPCRs.Nature communications · 2019Article
- Identification of Antifungal Targets Based on Computer Modeling.Journal of fungi (Basel, Switzerland) · 2018Review
- Pharmaceutical Machine Learning: Virtual High-Throughput Screens Identifying Promising and Economical Small Molecule Inhibitors of Complement Factor C1s.Biomolecules · 2018Article
- Computer-Aided Drug Discovery in Plant Pathology.The plant pathology journal · 2017Review
- Flexible CDOCKER: Development and application of a pseudo-explicit structure-based docking method within CHARMM.Journal of computational chemistry · 2016Article
- Neural-Network Scoring Functions Identify Structurally Novel Estrogen-Receptor Ligands.Journal of chemical information and modeling · 2015Article
- Molecular docking and structure-based drug design strategies.Molecules (Basel, Switzerland) · 2015Review
- DOCK 6: Impact of new features and current docking performance.Journal of computational chemistry · 2015Article
Corrections and comments
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Authors and funding
2 authors.
Funding
Abstract
Protein flexibility plays a critical role in ligand binding to both orthosteric and allosteric sites. We here review some of the computer-aided drug-design techniques currently used to account for protein flexibility, ranging from methods that probe local receptor flexibility in the region of the protein immediately adjacent to the binding site, to those that account for general flexibility in all protein regions.
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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.