Researchers have innovatively merged protein structural data with genetic sequences to construct evolutionary trees, ...
Protein structures were predicted using ColabFold and ESMFold, with structural coverage evaluated against the PDB. Proteins were clustered based on sequence and structural similarity, forming 19,067 ...
Density functional theory has become the workhorse of quantum physics ... E-P-Correlation.xlsx); molecular structures optimized in this work given in a txt file (Structures-NMR-Couplings.txt); ...
Guangxi Key Laboratory of Low-Carbon Energy Materials, School of Chemistry and Pharmaceutical Sciences, Guangxi Normal University, Guilin 541004, China College of Materials and Chemical Engineering, ...