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   Articles with "site identification" as a keyword



Integrated Model Approach STELLA Method of Site Identification for Charging Infrastructure

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recommendations! Published in 2018 at "IFAC-PapersOnLine"

DOI: 10.1016/j.ifacol.2018.07.034

Abstract: Abstract The spread of a charging infrastructure for battery electric vehicles is crucial for both coping with the increasing number of electric vehicles and reducing users’ impediments to adoption. Therefore, the selection of optimal (fast-)charging… read more here.

Keywords: integrated model; charging infrastructure; model approach; infrastructure ... See more keywords

Detection of Putative Ligand Dissociation Pathways in Proteins Using Site-Identification by Ligand Competitive Saturation

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recommendations! Published in 2024 at "Journal of chemical information and modeling"

DOI: 10.1021/acs.jcim.4c01814

Abstract: Drug efficacy often correlates better with dissociation kinetics than binding affinity alone. To study binding kinetics computationally, it is necessary to identify all of the possible ligand dissociation pathways. The site identification by ligand competitive… read more here.

Keywords: dissociation pathways; ligand; dissociation; ligand dissociation ... See more keywords

Integrated Covalent Drug Design Workflow Using Site Identification by Ligand Competitive Saturation.

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recommendations! Published in 2023 at "Journal of chemical theory and computation"

DOI: 10.1021/acs.jctc.3c00232

Abstract: Covalent drug design is an important component in drug discovery. Traditional drugs interact with their target in a reversible equilibrium, while irreversible covalent drugs increase the drug-target interaction duration by forming a covalent bond with… read more here.

Keywords: covalent drug; drug design; site identification; identification ligand ... See more keywords

Enhanced Binding Site Identification in Protein-Ligand Complexes with a Combined Blind Docking and Dipolar Electron Paramagnetic Resonance Approach.

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recommendations! Published in 2025 at "Journal of the American Chemical Society"

DOI: 10.1021/jacs.5c01274

Abstract: Understanding protein-drug complex structures is crucial for elucidating therapeutic mechanisms and side effects. Blind docking facilitates site identification but is hindered by computational complexity and imprecise scoring, causing ambiguity. Dipolar electron paramagnetic resonance (EPR) provides… read more here.

Keywords: electron paramagnetic; dipolar electron; site; blind docking ... See more keywords

A convolution based computational approach towards DNA N6-methyladenine site identification and motif extraction in rice genome

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recommendations! Published in 2021 at "Scientific Reports"

DOI: 10.1038/s41598-021-89850-9

Abstract: DNA N6-methylation (6mA) in Adenine nucleotide is a post replication modification responsible for many biological functions. Automated and accurate computational methods can help to identify 6mA sites in long genomes saving significant time and money.… read more here.

Keywords: rice genome; site; site identification; motif extraction ... See more keywords

Active site identification and CO oxidation in UiO-66-XX thin films

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recommendations! Published in 2023 at "Nanotechnology"

DOI: 10.1088/1361-6528/acbcd8

Abstract: Metal-organic frameworks (MOFs) offer an intrinsically porous and chemically tunable platform for gas adsorption, separation, and catalysis. We investigate thin film derivatives of the well-studied Zr–O based MOF powders to understand their adsorption properties and… read more here.

Keywords: uio nh2; thin films; oxidation uio; site identification ... See more keywords
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The Diminishing Importance of Primary Site Identification in Cancer of Unknown Primary: A Canadian Single-Center Experience

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recommendations! Published in 2021 at "Frontiers in Oncology"

DOI: 10.3389/fonc.2021.634563

Abstract: Background Cancer of unknown primary (CUP) describes patients with metastatic disease without an identified primary tumor site. Successful diagnosis and treatment of these patients remains difficult. Published guidelines on CUP have highlighted “favorable” subtype groups.… read more here.

Keywords: cancer unknown; site; primary site; site identification ... See more keywords

Rapid On-Site Identification for Three Arcidae Species (Anadara kagoshimensis, Tegillarca granosa, and Anadara broughtonii) Using Ultrafast PCR Combined with Direct DNA Extraction

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recommendations! Published in 2022 at "Foods"

DOI: 10.3390/foods11162449

Abstract: Granular ark (Tegillarca granosa), broughton’s ribbed ark (Anadara broughtonii), and half-crenate ark (Anadara kagoshimensis) are important fishery resources throughout Asia; granular ark exhibiting a higher economic value due to its rarity. However, due to the… read more here.

Keywords: anadara; tegillarca granosa; ark; site identification ... See more keywords