7 Result(s)
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Article
Open AccessCorrection to: Similarities and differences between variants called with human reference genome HG19 or HG38
After publication of this supplement article
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Article
Open AccessSimilarities and differences between variants called with human reference genome HG19 or HG38
Reference genome selection is a prerequisite for successful analysis of next generation sequencing (NGS) data. Current practice employs one of the two most recent human reference genome versions: HG19 or HG38....
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Chapter
Applications of Molecular Dynamics Simulations in Computational Toxicology
is a discipline seeking to computationally and predict toxicity of chemicals including drugs, food additives, and other . of chemicals using current or is at best time-consuming and expensive. ...
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Article
Discovery of potent inhibitors for interleukin-2-inducible T-cell kinase: structure-based virtual screening and molecular dynamics simulation approaches
In our study, a structure-based virtual screening study was conducted to identify potent ITK inhibitors, as ITK is considered to play an important role in the treatment of inflammatory diseases. We developed a...
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Article
Pharmacophore modeling, molecular docking, and molecular dynamics simulation approaches for identifying new lead compounds for inhibiting aldose reductase 2
Aldose reductase 2 (ALR2), which catalyzes the reduction of glucose to sorbitol using NADP as a cofactor, has been implicated in the etiology of secondary complications of diabetes. A pharmacophore model, Hypo...
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Article
Homology modeling, molecular dynamics, e-pharmacophore map** and docking study of Chikungunya virus nsP2 protease
To date, no suitable vaccine or specific antiviral drug is available to treat Chikungunya viral (CHIKV) fever. Hence, it is essential to identify drug candidates that could potentially impede CHIKV infection. ...
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Article
Open AccessPotent bace-1 inhibitor design using pharmacophore modeling, in silico screening and molecular docking studies
Beta-site amyloid precursor protein cleaving enzyme (BACE-1) is a single-membrane protein belongs to the aspartyl protease class of catabolic enzymes. This enzyme involved in the processing of the amyloid prec...
