[HTML][HTML] Computer-aided nanodrug discovery: recent progress and future prospects

JJ Zheng, QZ Li, Z Wang, X Wang, Y Zhao… - Chemical Society …, 2024 - pubs.rsc.org
Nanodrugs, which utilise nanomaterials in disease prevention and therapy, have attracted
considerable interest since their initial conceptualisation in the 1990s. Substantial efforts …

Achieving digital catalysis: strategies for data acquisition, storage and use

CP Marshall, J Schumann… - Angewandte Chemie …, 2023 - Wiley Online Library
Heterogeneous catalysis is an important area of research that generates data as intricate as
the phenomenon itself. Complexity is inherently coupled to the function of the catalyst and …

Research Data Management Practices and Challenges in Academic Libraries: A Comprehensive Review

A Subaveerapandiyan - Libr. Philos. Pract.(EJ.), 2023 - papers.ssrn.com
This comprehensive review article delves into the current landscape of research data
management (RDM) practices and challenges faced by academic libraries across various …

Interconnected Digital Solutions to Accelerate Modeling of the Reaction Kinetics in Catalysis

R Chacko, H Gossler, S Angeli… - ChemCatChem, 2024 - Wiley Online Library
Microkinetic modeling is a widely used tool in the domain of heterogeneous catalysis to gain
valuable insights about the fundamental surface kinetics, crucial to designing improved …

Modeling Enzyme Kinetics: Current Challenges and Future Perspectives for Biocatalysis

J Pleiss - Biochemistry, 2024 - ACS Publications
Biocatalysis is becoming a data science. High-throughput experimentation generates a
rapidly increasing stream of biocatalytic data, which is the raw material for mechanistic and …

Digitalization in Catalysis and Reaction Engineering: Automatizing Work Flows

R Chacko, H Gossler, J Riedel, SA Schunk… - Proceedings of the …, 2023 - tib-op.org
Digitalization and surrounding efforts fostered by the advent of Industry 4.0 have been a
development topic in the fields of chemistry and chemical engineering for several years–so …

LabIMotion Electronic Lab Notebook as Research Data Management Tool in Catalysis

P Dolcet, M Schulte, F Maurer, N Jung… - Proceedings of the …, 2023 - tib-op.org
In the field of heterogenous catalysis, Electronic Lab Notebooks (ELNs) are only rarely
employed, due to complex data structure and different needs of the community with respect …