Results 11 to 20 of about 119,597,839 (255)

Mechanistic modeling for agroecological adaptation: genetic potential, uncertainty, and in silico design [PDF]

open access: yesFrontiers in Bioinformatics
Biological adaptation is increasingly studied through data-rich descriptions of environments, organisms, and their interactions. In crop systems, this challenge is especially concrete: genetic potential, physiological regulation, soil–water dynamics ...
Edgar S. Correa, Francisco C. Calderon
doaj   +2 more sources

A Guide to In Silico Drug Design

open access: yesPharmaceutics, 2022
The drug discovery process is a rocky path that is full of challenges, with the result that very few candidates progress from hit compound to a commercially available product, often due to factors, such as poor binding affinity, off-target effects, or ...
Yiqun Chang   +5 more
doaj   +2 more sources

In silico exploration of novel protease inhibitors against coronavirus 2019 (COVID-19)

open access: yesInformatics in Medicine Unlocked, 2021
The spread of SARS-CoV-2 has affected human health globally. Hence, it is necessary to rapidly find the drug-candidates that can be used to treat the infection.
Elham Aghaee   +2 more
doaj   +1 more source

Development and validation of anti-human Alpha synuclein DNA aptamer using computer modelling techniques—an in silico study [PDF]

open access: yesJournal of Integrative Neuroscience, 2022
Background: Biomarker detection strategies have, in recent years, been moving towards nucleic acid-based detection systems in the form of aptamers, short oligonucleotide sequences which have shown promise in pre-clinical and research settings.
Marcus Rock   +7 more
doaj   +1 more source

Design of two immunotoxins based rovalpituzumab antibody against DLL3 receptor; a promising potential opportunity

open access: yesResearch in Pharmaceutical Sciences, 2022
Background and purpose: The lack of a new effective treatment for small cell lung cancer (SCLC) is an unresolved problem. Due to the new identification of delta-like ligand 3 (DLL3) and its high expression in SCLC patients, the use of DLL3 in target ...
Mohammad Hossein Ataee   +5 more
doaj   +1 more source

Smart Approach for the Design of Highly Selective Aptamer-Based Biosensors

open access: yesBiosensors, 2022
Aptamers are chemically synthesized single-stranded DNA or RNA oligonucleotides widely used nowadays in sensors and nanoscale devices as highly sensitive biorecognition elements. With proper design, aptamers are able to bind to a specific target molecule
Ali Douaki   +8 more
doaj   +1 more source

In silico peptide-directed ligand design complements experimental peptide-directed binding for protein–protein interaction modulator discovery [PDF]

open access: yes, 2020
Using the protein–protein interaction of Mcl-1/Noxa, two methods for efficient modulator discovery are directly compared. In silico peptide-directed ligand design is evaluated against experimental peptide-directed binding, allowing for the discovery of ...
Beekman, Andrew Michael   +5 more
core   +3 more sources

Alignment independent 3D-QSAR, quantum calculations and molecular docking of Mer specific tyrosine kinase inhibitors as anticancer drugs

open access: yesSaudi Pharmaceutical Journal, 2016
Mer receptor tyrosine kinase is a promising novel cancer therapeutic target in many human cancers, because abnormal activation of Mer has been implicated in survival signaling and chemoresistance.
Fereshteh Shiri   +2 more
doaj   +1 more source

Evaluation of personalized right ventricle to pulmonary artery conduits using in silico design and computational analysis of flowCentral MessagePerspective

open access: yesJTCVS Open, 2020
Objectives: Right ventricle to pulmonary artery (RV-PA) conduits are required for the surgical management of pulmonary atresia with ventricular septal defect and truncus arteriosus.
Pegah Ebrahimi, MPhil   +6 more
doaj   +1 more source

Modification of Vegetable Proteins to Release Bioactive Peptides Able to Treat Metabolic Syndrome—In Silico Assessment

open access: yesApplied Sciences, 2020
Metabolic syndrome comprises a cluster of diseases like hypertension, dyslipidemia, and insulin resistance, among others. Its treatment is based on lifestyle modification; however, this treatment often fails to improve metabolic syndrome indicators over ...
Diego Armando Maldonado-Torres   +4 more
doaj   +1 more source

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