Abstract Machine learning provides researchers a unique opportunity to make metabolic
engineering more predictable. In this review, we offer an introduction to this discipline in …

The quantum nature of electrons and nuclei is manifested in countless biological events
including the rearrangements of electrons in biochemical reactions, electron and proton …

Catalysis informatics is a distinct subfield that lies at the intersection of cheminformatics and
materials informatics but with distinctive challenges arising from the dynamic, surface …

Machine learning (ML), particularly deep learning (DL), has made rapid and substantial
progress in synthetic biology in recent years. Biotechnological applications of biosystems …

In general perturbation methods starts with a known exact solution of a problem and add
“small” variation terms in order to approach to a solution for a related problem without known …

Cellulose degradation is a critical process in soil ecosystems, playing a vital role in nutrient
cycling and organic matter decomposition. Enzymatic degradation of cellulosic biomass is …

Among protein families, carbonic anhydrases (CAs, EC 4.2. 1.1) are metalloenzymes
characterized by a common reaction mechanism in all life domains: the carbon dioxide …

Synthetic biology is today harnessing the design of novel and greener biosynthesis routes
for the production of added-value chemicals and natural products. The design of novel …

Abstract Here MP2, MP3 and MP4 (SDQ) are energy-partitioned for the first time within the
Interacting Quantum Atoms (IQA) context, as proof-of-concept for H 2, He 2 and HF. Energies …

We compare a range of computational methods for the prediction of sublimation
thermodynamics (enthalpy, entropy, and free energy of sublimation). These include a model …