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Updated: Oct 10, 2025

Fully Autonomous Characterization and Data Collection from Crystals of Biological Macromolecules

Fully Autonomous Characterization and Data Collection from Crystals of Biological Macromolecules

Published on: March 22, 2019

eScience Infrastructures in Physical Chemistry.

Samantha Kanza¹, Cerys Willoughby¹, Colin Leonard Bird¹

¹School of Chemistry, University of Southampton, Southampton, United Kingdom; email: s.kanza@soton.ac.uk, cerys.willoughby@soton.ac.uk, colinl.bird@soton.ac.uk, j.g.frey@soton.ac.uk.

Annual Review of Physical Chemistry

|December 9, 2021

Summary

This summary is machine-generated.

eScience infrastructures have significantly advanced physical chemistry research by improving data management and collaboration. These digital tools enhance research processes, making complex scientific endeavors more accessible and efficient for chemists.

Keywords:

Semantic Web collaboration data digital eScience open science

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Area of Science:

Physical Chemistry
Computational Chemistry
Materials Science

Background:

The exponential growth in scientific research data necessitates robust digital infrastructures.
Physical chemists have increasingly adopted eScience infrastructures over the past five years.
While not altering core chemical principles, these infrastructures have transformed research methodologies.

Purpose of the Study:

To review the various aspects of eScience infrastructures.
To explore how these infrastructures enhance physical chemistry research.
To highlight the impact of digital tools on scientific workflows.

Main Methods:

Review of eScience infrastructure components including collaborative software, semantic resources, and hardware.
Analysis of data management tools and their application in physical chemistry.
Examination of the integration of digital tools into laboratory practices.

Main Results:

eScience infrastructures have significantly improved the efficiency and accessibility of physical chemistry research.
Collaborative efforts in developing open-source software and semantic resources are key drivers.
Increased availability of hardware and advanced data management tools streamline research processes.

Conclusions:

eScience infrastructures are crucial for modern physical chemistry research.
The integration of digital tools simplifies complex research tasks.
Continued development and adoption of eScience will further revolutionize scientific discovery.