ArticleMethods in molecular biology (Clifton, N.J.)2026
Differential Evolution for Docking Simulations.
Article in Methods in molecular biology (Clifton, N.J.), 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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
0 citing papers in PubMed.
No citing paper in PubMed yet.
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
4 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Early stages of drug discovery rely on docking programs to carry out computational screens to find novel potential binders for a protein target. Protein-ligand docking programs consist basically of a search algorithm and a scoring function. This chapter focuses on the search algorithm used in docking simulations. It explains how to use the differential evolution implemented in the Molegro Virtual Docker (MVD) to perform docking simulations against a protein target. Differential evolution is a heuristic method similar to genetic algorithms employed in optimization problems. This algorithm belongs to the class of bioinspired algorithms. This work describes a docking protocol that combines the differential evolution (a search algorithm) and the MolDock score (scoring function available in MVD). Previously published works reported docking simulations against three proteins (cyclin-dependent kinase 2, cannabinoid receptor 1, and transmembrane protease serine 2) using MVD. All docking simulations generated pose structures close to the crystallography coordinates of the ligands. Protein structures employed for docking in this chapter are available in the Protein Data Bank. The Jupyter Notebook discussed in this work is available at GitHub: https://github.com/azevedolab/docking#readme .
Indexed as
Identifiers
41075094What 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.