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As artificial intelligence becomes increasingly integrated into software development processes, the prevalence and sophistication of AI-generated code continue to expand rapidly. This study addresses the critical need for transparency and…

Software Engineering · Computer Science 2025-05-28 David Hanson

Therapeutic antibody candidates often require extensive engineering to improve key functional and developability properties before clinical development. This can be achieved through iterative design, where starting molecules are optimized…

Machine Learning · Computer Science 2025-09-23 Aniruddh Raghu , Sebastian Ober , Maxwell Kazman , Hunter Elliott

Designing protein sequences that fold into a target 3D structure, known as protein inverse folding, is a fundamental challenge in protein engineering. While recent deep learning methods have achieved impressive performance by recovering…

Biomolecules · Quantitative Biology 2025-06-03 Mengdi Liu , Xiaoxue Cheng , Zhangyang Gao , Hong Chang , Cheng Tan , Shiguang Shan , Xilin Chen

Classification of proteins based on their structure provides a valuable resource for studying protein structure, function and evolutionary relationships. With the rapidly increasing number of known protein structures, manual and…

Computational Engineering, Finance, and Science · Computer Science 2009-07-14 Oktie Hassanzadeh

The de novo design of proteins refers to creating proteins with specific structures and functions that do not naturally exist. In recent years, the accumulation of high-quality protein structure and sequence data and technological…

Biomolecules · Quantitative Biology 2025-04-24 Yujie Qin , Ming He , Changyong Yu , Ming Ni , Xian Liu , Xiaochen Bo

The core challenge of de novo protein design lies in creating proteins with specific functions or properties, guided by certain conditions. Current models explore to generate protein using structural and evolutionary guidance, which only…

Quantitative Methods · Quantitative Biology 2024-12-13 Chaohao Yuan , Songyou Li , Geyan Ye , Yikun Zhang , Long-Kai Huang , Wenbing Huang , Wei Liu , Jianhua Yao , Yu Rong

Technological progress has persistently shaped the dynamics of human-machine interactions in task execution. In response to the advancements in Generative AI, this paper outlines a detailed study plan that investigates various human-AI…

Human-Computer Interaction · Computer Science 2024-02-13 Zijian Ding

Proteins play essential roles in nature, from catalyzing biochemical reactions to binding specific targets. Advances in protein engineering have the potential to revolutionize biotechnology and healthcare by designing proteins with tailored…

Biomolecules · Quantitative Biology 2025-05-05 Hocheol Lim , Geon-Ho Lee , Kyoung Tai No

While modern biotechnologies allow synthesizing new proteins and function measurements at scale, efficiently exploring a protein sequence space and engineering it remains a daunting task due to the vast sequence space of any given protein.…

Biomolecules · Quantitative Biology 2024-01-15 Jiahao Qiu , Hui Yuan , Jinghong Zhang , Wentao Chen , Huazheng Wang , Mengdi Wang

Generative AI systems are transforming content creation, but their usability remains a key challenge. This paper examines usability factors such as user experience, transparency, control, and cognitive load. Common challenges include…

Human-Computer Interaction · Computer Science 2025-02-26 Anna Ravera , Cristina Gena

The field of engineering is shaped by the tools and methods used to solve problems. Optimization is one such class of powerful, robust, and effective engineering tools proven over decades of use. Within just a few years, generative…

Computational Engineering, Finance, and Science · Computer Science 2025-12-02 Lyle Regenwetter , Cyril Picard , Amin Heyrani Nobari , Akash Srivastava , Faez Ahmed

Attention-based models trained on protein sequences have demonstrated incredible success at classification and generation tasks relevant for artificial intelligence-driven protein design. However, we lack a sufficient understanding of how…

Machine Learning · Computer Science 2022-06-29 Erik Nijkamp , Jeffrey Ruffolo , Eli N. Weinstein , Nikhil Naik , Ali Madani

Deep learning has become a powerful tool in computational biology, revolutionising the analysis and interpretation of biological data over time. In our article review, we delve into various aspects of deep learning in computational biology.…

Designing protein sequences with specific biological functions and structural stability is crucial in biology and chemistry. Generative models already demonstrated their capabilities for reliable protein design. However, previous models are…

Machine Learning · Computer Science 2024-02-28 Lin Zongying , Li Hao , Lv Liuzhenghao , Lin Bin , Zhang Junwu , Chen Calvin Yu-Chian , Yuan Li , Tian Yonghong

Protein sequence design, determined by amino acid sequences, are essential to protein engineering problems in drug discovery. Prior approaches have resorted to evolutionary strategies or Monte-Carlo methods for protein design, but often…

In the ever-evolving landscape of Artificial Intelligence (AI), the synergy between generative AI and Software Engineering emerges as a transformative frontier. This whitepaper delves into the unexplored realm, elucidating how generative AI…

The advances and availability of technologies involving Generative Artificial Intelligence (AI) are evolving clearly and explicitly, driving immediate changes in various work activities. Software Engineering (SE) is no exception and stands…

Protein folding and design are major biophysical problems, the solution of which would lead to important applications especially in medicine. Here a novel protein model capable of simultaneously provide quantitative protein design and…

Biological Physics · Physics 2015-06-22 Ivan Coluzza

Generative Design (GD) has evolved as a transformative design approach, employing advanced algorithms and AI to create diverse and innovative solutions beyond traditional constraints. Despite its success, GD faces significant challenges…

Computer Vision and Pattern Recognition · Computer Science 2024-03-20 Jihoon Kim , Yongmin Kwon , Namwoo Kang

The capability of accurate prediction of protein functions and properties is essential in the biotechnology industry, e.g. drug development and artificial protein synthesis, etc. The main challenges of protein function prediction are the…

Quantitative Methods · Quantitative Biology 2021-12-02 Wei-Cheng Tseng , Po-Han Chi , Jia-Hua Wu , Min Sun
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