Biologists working in the area of computational protein design have never doubted the seriousness of the algorithmic challenges that face them in attempting in silico sequence selection. It turns out that in the language of the computer science community, this discrete optimization problem is NP -har...
Summary: This paper shows that the problem of finding a protein side-chain packing is computationally hard (NP-hard), where the problem is defined here as a combinatorial search problem using rotamer library. Although this result does not suggest a new method, it gives a justification for prev...
Thus, it is necessary to study the effect of protein corona on cellular level events, including NP-protein complex binding, internalization, and transportation, enabling rational design of brain-targeted delivery systems. Complex, potentially personalized, analytic tools are options to consider for ...
The task of protein sequence design is central to nearly all rational protein engineering problems, and enormous effort has gone into the development of energy functions to guide design. Here, we investigate the capability of a deep neural network model
We formulate the optimization as a sequentially-constrained hypergraph partitioning problem; the quality of recombinant libraries with respect to a set of breakpoints is characterized by the total perturbation to edge weights. We prove this problem to be NP-hard in general, but develop exact and ...
In general, it is hard to show whether a general polynomial function is convex or not (except for the special case of quadratic underestimators where 2d = 2). It has been shown that even verifying the convexity of a degree-4 polynomial is an intractable problem27. Instead, we will use ...
GL, ZX performed the statistical analysis. YG, MJ, EL performed the design of the study and the corrections of manuscript’s final version. The final manuscript was reviewed and approved by all authors. Corresponding authors Correspondence to Yuhua Gong, Min Jin or Eryi Lu....
Hence, a more rigorous and comprehensive design was required. In this study, after stringent quality control approaches, we obtained eligible cis-pQTLs that satisfied the basic assumptions of MR, and they were further utilized in the following proteome-wide MR analysis. In the primary proteome-...
P. In planta nanosensors: understanding biocorona formation for functional design. ACS Sens. 6, 2802–2814 (2021). Article CAS Google Scholar Lehner, R., Weder, C., Petri-Fink, A. & Rothen-Rutishauser, B. Emergence of nanoplastic in the environment and possible impact on human health....
The second type involves the comparison when the set of equivalent residues is not a priori given. Therefore, an optimal structural alignment needs to be identified; this problem is NP-hard with no exact solution [14]. Nevertheless, a number of methods have been developed that employ heuristics...