A computational framework for the discovery of novel biotransformations
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Let F be a family of n pairwise intersecting circles in the plane. We show that the number of lenses, that is convex digons, in the arrangement induced by F is at most 2n - 2. This bound is tight. Furthermore, if no two circles in F touch, then the geometr ...
The International Committee on Intellectual Cooperation (ICIC) is often framed as a step in the constitution of a “League of Minds” – a place where scientists and writers reign, and a necessary part of a successful and harmonious “League of Nations” – but ...
Graph machine learning offers a powerful framework with natural applications in scientific fields such as chemistry, biology and material sciences. By representing data as a graph, we encode the prior knowledge that the data is composed of a set of entitie ...
Assigning or proposing a catalysing enzyme given a chemical or biochemical reaction is of great interest to life sciences and chemistry alike. The exploration and design of metabolic pathways and the challenge of finding more sustainable enzyme-catalysed a ...
One of the main challenges hampering the development of kinetic models is the lack of kinetic parameters for many enzymatic reactions. Here, the authors introduce a framework to explore the catalytically optimal operating conditions of any complex enzyme m ...
In the beginning was the metabolism. The biochemical processes that make life possible transformed the soup of chemicals into the life on Earth we know today. Since then, living organisms have evolved, and life on Earth has become more complex. Living orga ...
Suppose that the vertices of a graph G are colored with two colors in an unknown way. The color that occurs on more than half of the vertices is called the majority color (if it exists), and any vertex of this color is called a majority vertex. We study th ...
This work presents a graph neural network (GNN) framework for solving the maximum independent set (MIS) problem, inspired by dynamic programming (DP). Specifically, given a graph, we propose a DP-like recursive algorithm based on GNNs that firstly construc ...
Water distribution systems (WDSs) are complex networks with numerous interconnected junctions and pipes. The robustness and reliability of these systems are critically dependent on their network structure, necessitating detailed analysis for proactive leak ...
We exhibit an unambiguous k-DNF formula that requires CNF width (Omega) over tilde (k(2)), which is optimal up to logarithmic factors. As a consequence, we get a near-optimal solution to the Alon-Saks-Seymour problem in graph theory (posed in 1991), which ...