Results 161 to 170 of about 2,795,372 (389)

High Throughput Virtual Screening with Data Level Parallelism in Multi-core Processors

open access: yes, 2013
Improving the throughput of molecular docking, a computationally intensive phase of the virtual screening process, is a highly sought area of research since it has a significant weight in the drug designing process.
Prabuddha, Rahal   +2 more
core   +1 more source

Spin Engineering of Dual‐Atom Site Catalysts for Efficient Electrochemical Energy Conversion

open access: yesAdvanced Materials, EarlyView.
This review highlights recent progress in spin engineering of dual‐atom site catalysts (DASCs), emphasizing how spin‐related properties enhance electrocatalytic activity, selectivity, and stability. It summarizes cutting‐edge developments in dual‐atom catalysis, discusses the underlying spin‐catalysis mechanisms and structure–performance relationships,
Dongping Xue   +5 more
wiley   +1 more source

New Results on Precision Studies of Heavy Vector Boson Physics

open access: yes, 2004
We present new results for two important heavy vector boson physics processes: (1), virtual corrections to hard bremsstrahlung which are relevant to precision predictions for the radiative return process in Z boson production at and beyond LEP2 energies ;
Glosser, C.   +6 more
core   +1 more source

Thermally Actuated Soft Robotics

open access: yesAdvanced Materials, EarlyView.
This review focuses on the recent development of thermally actuated soft robotics, highlighting the four major heating mechanisms, as well as structural designs, thermal management, material innovations, and emerging applications. A summary and outlook section present the current challenges of thermally actuated soft robots and the future directions to
Shuang Wu   +2 more
wiley   +1 more source

Geometric Deep learning Prioritization and Validation of Cannabis Phytochemicals as Anti-HCV Non-nucleoside Direct-acting Inhibitors

open access: yesBiomedical Engineering and Computational Biology
Introduction: The rate of acute hepatitis C increased by 7% between 2020 and 2021, after the number of cases doubled between 2014 and 2020. With the current adoption of pan-genotypic HCV therapy, there is a need for improved availability and ...
Ssemuyiga Charles, Mulumba Pius Edgar
doaj   +1 more source

Bioinspired Adaptive Sensors: A Review on Current Developments in Theory and Application

open access: yesAdvanced Materials, EarlyView.
This review comprehensively summarizes the recent progress in the design and fabrication of sensory‐adaptation‐inspired devices and highlights their valuable applications in electronic skin, wearable electronics, and machine vision. The existing challenges and future directions are addressed in aspects such as device performance optimization ...
Guodong Gong   +12 more
wiley   +1 more source

MOLA: a tool for automation of parallel virtual docking using AutoDock Vina in a heterogeneous set of computer clusters [PDF]

open access: yes, 2009
The use of molecular docking lo search large databases of compounds for possible ligands of a protein receptor is usually termed virtual screening and has been successfully applied in several therapeutic programs at the lead discovery stage.
Abreu, Rui M.V.   +3 more
core  

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