Results 11 to 20 of about 53,171 (233)

Vina-GPU 2.0:further accelerating AutoDock Vina and its derivatives with GPUs [PDF]

open access: yes, 2022
Modern drug discovery typically faces large virtual screens from huge compound databases where multiple docking tools are involved for meeting various real scenes or improving the precision of virtual screens.
Haifeng, Hu   +6 more
core   +1 more source

Improving Ligand-Ranking of AutoDock Vina by Changing the Empirical Parameters [PDF]

open access: yes, 2021
AutoDock Vina (Vina) achieved a very high docking-success rate, p ̂, but give a rather low correlation coefficient, R, for binding affinity with respect to experiments. This low correlation can be an obstacle for ranking of ligand-binding affinity, which
Nguyen Minh, Tam   +10 more
core   +1 more source

Vina-GPU 2.0: Further Accelerating AutoDock Vina and Its Derivatives with Graphics Processing Units

open access: yes, 2023
Modern drug discovery typically faces large virtual screens from huge compound databases where multiple docking tools are involved for meeting various real scenes or improving the precision of virtual screens.
Ji Ding (10734804)   +7 more
core   +1 more source

Orpowell/autodock-vina-automator:

open access: yes, 2021
The first(ish) official release of Autodock Vina ...
Oliver Powell
core   +1 more source

Orpowell/autodock-vina-automator: v1.0.0

open access: yes, 2021
The first official release of the AutoDock Vina ...
Oliver Powell
core   +1 more source

A Site-Aware Representation Learning Framework For Unified Molecular Interaction Modeling and Generative Design. [PDF]

open access: yesAdv Sci (Weinh)
MolDBG is a site‐aware, sequence‐only framework that unifies drug‐target affinity prediction, binding‐site identification, and affinity‐conditioned molecular generation for structured proteins. Guided by multi‐task binding‐site supervision, it aligns interaction‐critical residues before learning drug‐target representations and simultaneously infers ...
Luo G   +6 more
europepmc   +2 more sources

ANALISIS KUALITAS HIDUP KELUARGA YANG MERAWAT PASIEN GAGAL GINJAL KRONIK DENGAN HEMODIALISIS

open access: yesJurnal Keperawatan 'Aisyiyah, 2022
Keluarga merupakan bagian yang tidak terpisahkan dalam penatalaksanaan dan perawatan pasien gagal ginjal kronik yang menjalani hemodialisis. Keluarga mendapatkan beban, tekanan bahkan kecemasan yang dialami keluarga saat memberikan perawatan pada pasien
Vina Vitniawati Vina
doaj   +1 more source

Impact of weather changes on consumption of beverages in the hospitality industry

open access: yesTourism and Hospitality Management, 2013
Purpose – The trends of consumption of beverages in the hospitality industry are an important segment of managers’ prediction in the creation and planning of future tourist spending.
Zdenko Cerović, Đuro Horvat
doaj   +1 more source

Mikrooksidacija vina modri pinot

open access: yesActa Agriculturae Slovenica, 2006
Mlada rdeča vina izpostavljena kisiku lahko pod določenimi pogoji pridobijo na kakovosti. Proces mikrooksidacije je osnovna metoda, s katero lahko vplivamo na fenolno strukturo vin, ki skuša prilagajati količino dodanega kisika vinu z namenom povečati ...
Marko LESICA, Tatjana KOŠMERL
doaj   +1 more source

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