Computational Design
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mAbs ◽  
2022 ◽  
Vol 14 (1) ◽  
Bo-Seong Jeong ◽  
Jeong Seok Cha ◽  
Insu Hwang ◽  
Uijin Kim ◽  
Jared Adolf-Bryfogle ◽  

2022 ◽  
Vol 19 (4) ◽  
pp. 40-46
M. V. Stekolnikov ◽  
L. R. Milovanova ◽  
I. A. Chelysheva

The suggested modern approach to modelling of objects and systems allows not only to create models but also to use them to study the main properties of the object (system) with a high degree of clarity and adequacy, as well as to develop most important skills of young engineers in creating and implementing digital models of engineering objects.The objective of the study is to analyse capacity of one of the modern automated computational design systems as a methodological tool.The functionality of an automated computational design system is considered for the case of constructing a model of a planetary cycloidal pinion transmission. The resulting model allows visualising the kinematics of the designed mechanism in the form of static or moving graphic images. The model built based on the described approach contains digital images of mechanism parts, which can be transferred without modification to specialised software systems for analysing strength characteristics or manufacturing material models of a product using rapid prototyping methods.The proposed approach allows to perfect actions referring to the analysis of properties and synthesis of new structures using tools that correspond to the modern level of technology development and to get a visual idea of the process of developing a machine from a mathematical model to its material objectification.The research methods are based on the fundamental principles of mathematical and simulation modelling, data analysis and processing using powerful automated computational design tools.The tools used for modelling can be used for different forms of learning, i.e., without reference to specific premises and equipment. 

2022 ◽  
Sandrine Legault ◽  
Derek Paco Fraser-Halberg ◽  
Ralph McAnelly ◽  
Matthew G Eason ◽  
Michael Thompson ◽  

Red fluorescent proteins (RFPs) have found widespread application in chemical and biological research due to their longer emission wavelengths. Here, we use computational protein design to increase the quantum yield...

Manuel Menor-Flores ◽  
Miguel A. Vega-Rodríguez ◽  
Felipe Molina

2022 ◽  
Yinggan Zhang ◽  
Zhou Cui ◽  
Baisheng Sa ◽  
Naihua Miao ◽  
Jian Zhou ◽  

Two-dimensional transition metal carbides (MXenes) have a great potential to achieve intrinsic magnetism due to their available chemical and structural diversity. In this work, by spin-polarized density functional theory calculations,...

2021 ◽  
pp. 2103044
Chenxi Sui ◽  
Yao‐Yu Li ◽  
Xiuqiang Li ◽  
Genesis Higueros ◽  
Keyu Wang ◽  

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