Evidence map›Paper›PMID 37093481›Full record

ArticleMethods in molecular biology (Clifton, N.J.)2023

Receptor-Based Virtual Screening of Large Libraries in a Multi-Level In Silico Approach.

Tatiana F Vieira, Sérgio F Sousa

Abstract read
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In one paragraph

Article in Methods in molecular biology (Clifton, N.J.), 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.

0numbers the graph read from it
0cells of the map it votes in
2citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

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.

2 · The registry

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.

3 · Its place in the literature

Who cites it

2 citing papers in PubMed.

  1. Article
  2. Synthesis of Pyrrolo[3,4-Pharmaceuticals (Basel, Switzerland) · 2023
    Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

2 authors.

Tatiana F VieiraUCIBIO/REQUIMTE, BioSIM - Departamento de Medicina, Faculdade de Medicina da Universidade Do Porto, Alameda Prof. Hernâni Monteiro, Porto, Portugal.
Sérgio F SousaUCIBIO/REQUIMTE, BioSIM - Departamento de Medicina, Faculdade de Medicina da Universidade Do Porto, Alameda Prof. Hernâni Monteiro, Porto, Portugal. sergiofsousa@med.up.pt.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Structure-based drug design (SBDD) has become an alternative to high throughput screening (HTS) as it reduces experimental costs and time. It works like a funnel, filtering out compounds that do not show good affinity (or score) toward a particular target, with known 3D structure.Here, we describe a protocol for structure-based drug design using a multi-level in silico approach, combining Molecular Docking, Virtual Screening, Molecular Dynamics Simulations and Free energy calculations to find new lead molecules for experimental testing, predict binding affinities and characterize binding modes.

Indexed as

High-Throughput Screening AssaysMolecular Dynamics SimulationDrug DesignLigandsMolecular Docking SimulationProtein BindingLigandsCADDFree energy calculationIn silicoMolecular dynamics simulationsProtein-ligand dockingReceptor-based virtual screeningStructure-based drug design (SBDD)

Identifiers

PMID37093481

What OpenQuestion holds

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Registered trials

None linked

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.