Aug 2026· Zenodo (CERN European Organization for Nuclear Research)
Protein Structure and Dynamics
Abstract
Protein folding is the chemistry of the sequence's decision: how a chain of amino acids—with astronomically many possible conformations—finds its native state in milliseconds, the paradox Cyrus Levinthal posed in 1968 and Christian Anfinsen's thermodynamic hypothesis answered: the sequence itself encodes the fold. This article presents a narrative review of the primary literature that built the field, from Sela, White, and Anfinsen's 1957 ribonuclease refolding and Anfinsen's 1973 principles, through Levinthal's 1968 paradox, Karplus and Weaver's 1976 diffusion-collision, Dill's 1985 hydrophobic collapse, Hemmingsen and colleagues' 1988 chaperonins, Ellis and van der Vies's 1991 chaperone synthesis, Wolynes, Onuchic, and Thirumalai's 1995 folding funnels, Wright and Dyson's 1999 intrinsically disordered proteins, Dobson's 2003 misfolding and disease, Dill and MacCallum's 2012 fifty-year assessment, and Jumper and colleagues' 2021 AlphaFold, whose neural prediction made the sequence's structure computable. The synthesis is organized around three themes: the thermodynamic settlement, in which the native state's stability and the paradox's resolution were established; the assisted and disordered revisions, in which chaperones and intrinsically disordered proteins extended the folding paradigm; and the computational settlement, in which funnels, misfolding, and AlphaFold closed the fifty-year question. It is concluded that protein folding's history is the conversion of a paradox into a science—and its latest chapter, the prediction of structure from sequence, into chemistry's most consequential computation.
In the context of cloud computing, risks associated with underlying technologies, risks involving service models and outsourcing, and enterprise readiness have been recognized as potential barriers for the adoption. To accelerate cloud adoption, the concrete barriers negatively influencing the adoption decision need to be identified. Our study aims at understanding the impact of technical and security-related barriers on the organizational decision to adopt the cloud. We analyzed data collected through a web survey of 352 individuals working for enterprises consisting of decision makers as well as employees from other levels within an organization. The comparison of adopter and non-adopter sample reveals three potential adoption inhibitor, security, data privacy, and portability. The result from our logistic regression analysis confirms the criticality of the security concern, which results in an up to 26-fold increase in the non-adoption likelihood. Our study underlines the importance of the technical and security perspectives for research investigating the adoption of technology.
Nattakarn Phaphoom, Xiaofeng Wang, S. Samuel et al.· Journal of Systems and Softw...· 111 citations· ⚡8
To compete in this age of disruption, large companies cannot rely on cost efficiency, lead time reduction and quality improvement. They are now looking for ways to innovate like startups. Meanwhile, the awareness and use of the Lean startup approach have grown rapidly amongst the software startup community in recent years. This study investigates how Lean internal startup facilitates software product innovation in large companies and identifies its enablers and inhibitors. A multiple case study approach is followed in the investigation. Two software product innovation projects from two large companies are examined, using a conceptual framework that is based on the method-in-action framework and extended with the previously developed Lean-Internal Corporate Venture model. Seven face-to-face in-depth interviews of the employees with different roles are conducted. Within-case analysis and cross-case comparison are applied to draw the findings from the cases. A generic process flow summarises the common key processes of Lean internal startups. The findings suggest that an internal startup that is initiated management or employees faces different challenges. A list of enablers of applying Lean startup in large companies are identified, including top management support and cross-functional team. Both cases face different inhibitors due to the different process of inception, objective of the team and type of the product. Our contributions are threefold. First, this study is one of the first attempt to investigate the use of Lean startup approach in large companies empirically. Second, the study shows the potential of the method-in-action framework to investigate the Lean startup approach in non-startup context. The third is a general process of Lean internal startup and the evidence of the enablers and inhibitors of implementing it, which are both theory-informed and empirically grounded.
Henry Edison, Nina M. Smørsgård, Xiaofeng Wang et al.· Journal of Systems and Softw...· 78 citations· ⚡6
Affects--emotions and moods--have an impact on cognitive processing activities and the working performance of individuals. It has been established that software development tasks are undertaken through cognitive processing activities. Therefore, we have proposed to employ psychology theory and measurements in software engineering (SE) research. We have called it "psychoempirical software engineering". However, we found out that existing SE research has often fallen into misconceptions about the affect of developers, lacking in background theory and how to successfully employ psychological measurements in studies. The contribution of this paper is threefold. (1) It highlights the challenges to conduct proper affect-related studies with psychology; (2) it provides a comprehensive literature review in affect theory; and (3) it proposes guidelines for conducting psychoempirical software engineering.
D. Graziotin, Xiaofeng Wang, P. Abrahamsson· SSE@SIGSOFT FSE· 56 citations· ⚡4
It is essential for startups to quickly experiment business ideas by building tangible prototypes and collecting user feedback on them. As prototyping is an inevitable part of learning for early stage software startups, how fast startups can learn depends on how fast they can prototype. Despite of the importance, there is a lack of research about prototyping in software startups. In this study, we aimed at understanding what are factors influencing different types of prototyping activities. We conducted a multiple case study on twenty European software startups. The results are two folds; firstly we propose a prototype-centric learning model in early stage software startups. Secondly, we identify factors occur as barriers but also facilitators for prototyping in early stage software startups. The factors are grouped into (1) artifacts, (2) team competence, (3) collaboration, (4) customer and (5) process dimensions. To speed up a startup’s progress at the early stage, it is important to incorporate the learning objective into a well-defined collaborative approach of prototyping.
Anh Nguyen-Duc, Xiaofeng Wang, P. Abrahamsson· International Conference on...· 44 citations· ⚡5
This study constructed a pH-responsive P-TN/SF@Fe-Cur composite coating that demonstrated significant anti-infective, anti-inflammatory, antioxidant, pro-angiogenic, and pro-osteogenic effects in rat subcutaneous infection and femoral defect models.
Instead of relying on huge and expensive data centers for rolling out cloudbased services to rural and remote areas, we propose a hardware platform based on small single-board computers. The role of these micro-data centers is twofold. On the one hand, they act as intermediaries between cloud services and clients, improving availability in the case of network or power outages. On the other hand, they run community-based services on local infrastructure. We illustrate how to build such a system without incurring high costs, high power consumption, or single points of failure. Additionally, we opt for a system that is extendable and scalable as well as easy to deploy, relying on an open design.
P. Abrahamsson, S. Helmer, Tosin Daniel Oyetoyan et al.· arXiv.org· 2 citations
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MIT News · Artificial Intelligence· news.mit.eduAug 27, 2026
A new machine-learning framework aims to improve the success rate of computational protein design while moving away from results that reproduce sequences found in nature.