Distance geometry is a mathematical discipline that focuses on the relationships between points based on their distances from one another. This field has significant applications in molecular ...

Molecular gyrotops and macrocage structures are fascinating areas of research in chemistry, focusing on the design and synthesis of complex molecular systems that exhibit unique dynamic properties.

Laboratory of Theoretical Chemistry, Theoretical and Structural Physical Chemistry Unit, Namur Institute of Structured Matter (NISM), University of Namur, rue de Bruxelles, 61, B-5000 Namur, Belgium ...

Convert an xyz file into a molecular graph and create a 3D visualisation of the graph.

A powerful cheminformatics and molecule rendering toolbelt for JavaScript, powered by RDKit .

Changes in the spatial structure of proteins can also be easily detected with ONE microscopy. In a collaboration with colleagues from Göttingen and Kassel, molecular protein aggregates ...

Department of Chemistry, Texas A&M University, 3255 TAMU, College Station, Texas 77842, United States ...

What began with a focus on weather forecasting has evolved toward addressing errors in scientific modeling. In the collaborative environment of the Penn State Institute for Computational and Data ...

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