Results 1 to 10 of about 33,955 (115)
Accelerating AutoDock Vina with GPUs
Molecules, 2022 AutoDock Vina is one of the most popular molecular docking tools. In the latest benchmark CASF-2016 for comparative assessment of scoring functions, AutoDock Vina won the best docking power among all the docking tools.
Shidi Tang, Ruiqi Chen, Yanxiang Zhu
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An accurate and universal protein-small molecule batch docking solution using Autodock Vina
Results in Engineering, 2023 As an important theoretical computation method in computer-aided drug design, molecular docking has significantly shifted the paradigm of drug discovery.
Qilei Liu, Xinhao Che
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Comparing AutoDock and Vina in Ligand/Decoy Discrimination for Virtual Screening
Applied Sciences (Switzerland), 2019 AutoDock and Vina are two of the most widely used protein−ligand docking programs. The fact that these programs are free and available under an open source license, also makes them a very popular first choice for many users and a common starting ...
Tatiana F Vieira, Sérgio F. Sousa
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Results in ChemistryMolecular docking plays a crucial role in modern drug discovery by facilitating the prediction of interactions between small molecules and biomolecular targets.
Simona Concilio +2 more
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Valorizacija nusproizvoda proizvodnje vina [PDF]
Kemija u Industriji, 2023 Vinarstvo i vinogradarstvo jedne su od vodećih gospodarskih grana u svijetu koje, kao i ostale proizvodne djelatnosti, generiraju velike količine organskog otpada čije zbrinjavanje za proizvođača predstavlja velik ekonomski, a za okoliš ekološki problem.
Živko Skračić +3 more
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Virtual Screening for FDA-Approved Drugs That Selectively Inhibit Arginase Type 1 and 2
Molecules, 2022 Arginases are often overexpressed in human diseases, and they are an important target for developing anti-aging and antineoplastic drugs. Arginase type 1 (ARG1) is a cytosolic enzyme, and arginase type 2 (ARG2) is a mitochondrial one.
Trishna Saha Detroja, Abraham O. Samson
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Philippine Journal of Pathology, 2022 Glomangiopericytoma is a rare neoplasm of the nasal and paranasal sinuses comprising less than 1% of all tumors of the said region. We report of a 59-year-old hypertensive male who presented with epistaxis.
Karen Damian, Rachel Alegata
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Jurnal Kimia Valensi, 2016 Abstrak Human Liver Glycogen Phosphorylase (HLGP), suatu katalis glikogen yang mengontrol pelepasan glukosa-1-fosfat glikogen dari hati. Enzim ini mempunyai peran sentral dalam luaran glukosa hati sehingga menjadi target obat antidiabetik.
Fitri Kusvila Aziz +4 more
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Multimodal dataset for sensor fusion in fall detection [PDF]
PeerJThe necessity for effective automatic fall detection mechanisms in older adults is driven by the growing demographic of elderly individuals who are at substantial health risk from falls, particularly when residing alone. Despite the existence of numerous
Carla Taramasco +4 more
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Reflexe, 2018 Tato malá kniha německého filosofa z Heidelbergu a dnes profesora v Basileji, jejž Francouzi znají přinejmenším z jeho příspěvků na Mezinárodních setkáních v Ženevě, vychází z kursu o „Duchovní situaci Německa“, který sám autor vyučoval v Heidelbergu v ...
Paul Ricœur
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