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Related Concept Videos

Restorative Care01:19

Restorative Care

Restorative care is provided once a patient has been discharged from a healthcare facility and requires additional services. The additional services include home care, rehabilitation programs, and extended care. Restorative care centers help the patient regain their previous level of functioning or acquire a new level of functioning due to the incapacitating effects of a disease or a disability. It aims to assist patients in enhancing their quality of life by encouraging independence,...
Continuing Care01:25

Continuing Care

Continuing care describes the variety of health, personal, and social services provided over a prolonged period. The need for continuing care is increasing because people are living longer. Many people do not have families or others to care for them. Continuing care is mainly for patients who are disabled, functionally dependent, or suffering from a terminal disease. It is available within institutional settings or in homes. Examples include nursing centers or facilities, assisted living,...
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Nursing Process for Patient and Caregiver Teaching I: Assessment and Diagnosis

The nursing process provides a clinical decision-making framework for patients and families to establish and implement a personalized care plan. Since part of the nurse's duties is to teach patients, the steps of the nursing process are the most effective way to approach instruction. The nursing process and the teaching-learning process are inextricably linked.
It is critical to determine the patient's learning needs during the assessment. Determination of learning needs compounds data from the...
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Documentation in Long-Term and Home Healthcare Setting

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Alzheimer's Disease: Overview01:26

Alzheimer's Disease: Overview

Alzheimer's Disease (AD) is a continually advancing neurodegenerative disorder, distinguished by escalating memory loss, cognitive dysfunction, and dementia. The disease unfolds in three stages: preclinical, mild cognitive impairment (MCI), and dementia. Its onset is insidious, and the progression gradual, with the cause not well explained by other disorders.
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Dementia01:30

Dementia

Dementia is a collective term for cognitive disorders primarily affecting memory, thinking, and reasoning. It is not a specific disease but a syndrome, with Alzheimer's disease being the most common cause, accounting for approximately 60-80% of cases. Other types include vascular dementia, Lewy body dementia, and frontotemporal dementia. Dementia affects millions worldwide, particularly older adults, though it is not a normal part of aging.
The progression of dementia is generally gradual.

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Related Experiment Video

Updated: May 13, 2026

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
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Protocol for an automated virtual screening pipeline including library generation and docking evaluation.

Pedro José Barbosa Pereira1, Jorge Ripoll-Rozada2, Sandra Macedo-Ribeiro1

  • 1IBMC - Instituto de Biologia Molecular e Celular, Universidade do Porto, 4200-135 Porto, Portugal; i3S - Instituto de Investigação e Inovação em Saúde, Universidade do Porto, 4200-135 Porto, Portugal.

STAR Protocols
|November 9, 2025
PubMed
Summary

This study introduces an automated virtual screening pipeline for structure-based drug discovery. The protocol simplifies compound library generation and docking, making computational drug discovery more accessible and efficient for researchers.

Keywords:
BioinformaticsHigh-Throughput ScreeningStructural Biology

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Area of Science:

  • Computational chemistry
  • Drug discovery
  • Bioinformatics

Background:

  • Structure-based drug discovery is crucial for identifying novel therapeutics.
  • Automating computational screening pipelines can accelerate the drug discovery process.

Purpose of the Study:

  • To present a protocol for an automated virtual screening pipeline.
  • To lower the access barrier for researchers in structure-based drug discovery.

Main Methods:

  • Generating compound libraries, including FDA-approved drugs.
  • Setting up computational docking parameters (receptor and grid box).
  • Performing compound library docking and ranking results.

Main Results:

  • The protocol provides scripts for Unix-like systems.
  • It streamlines the process of virtual screening.
  • Enhances efficiency for experienced researchers and accessibility for new users.

Conclusions:

  • This automated pipeline facilitates structure-based drug discovery.
  • The protocol improves efficiency and accessibility in computational drug screening.