Highlights of (bio-)chemical tools and visualization software for computational science

D Dubbeldam and J Vreede and TJH Vlugt and S Calero, CURRENT OPINION IN CHEMICAL ENGINEERING, 23, 1-13 (2019).

DOI: 10.1016/j.coche.2019.02.001

Computational chemistry uses computer simulation to assist in solving chemical problems. Typical workflows of computational chemists include the use of dozens of utilities. 3D modeling programs are powerful tools that help researchers visualize their work and create illustrative graphics. In this review, we describe and highlight tools and visualization packages that are commonly used in the field of (bio-)chemistry and material science.

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