Biochemical pathways such as metabolic, regulatory or signal transduction pathways can be
viewed as interconnected processes forming an intricate network of functional and physical …

Density functional theory (DFT) was rapidly developed and achieved a great success in the
last decades. As the advancement of general concepts in heterogeneous catalysis …

This paper introduces the hierarchical computational framework OptStrain aimed at guiding
pathway modifications, through reaction additions and deletions, of microbial networks for …

Recently, a bifunctional oxide–zeolite (OX-ZEO) catalyst was widely studied experimentally,
which can selectively convert syngas to light olefins. The performance of OX-ZEO is …

The search for environmentally benign energy sources is becoming increasingly urgent.
One such technology is fuel cells, eg, the polymer electrolyte membrane (PEM) fuel cell …

The input and output formats, and the structure of Rule Input Network Generator (RING), a
computational tool for generation and analysis of complex reaction networks, are described …

We present a new framework for catalyst design that integrates computer-aided extraction of
knowledge with high-throughput experimentation (HTE) and expert knowledge to realize the …

A computer-assisted method for identifying functionalities to add to an organism-specific
metabolic network to enable a desired biotransformation in a host includes accessing …

Highlights•The paper reviews the extended application of P-graph in Process Network
Synthesis (PNS) problems.•Application of P-graph demonstrates topology of transportation …

A theory and algorithm for reaction route (RR) network analysis is developed in analogy with
electrical networks and is based on the combined use of RR theory, graph theory, and …