The values in a given row are the occurrences of the residue a in contact with the residues bi, cited on columns. Thus, there are twenty rows ai and twenty column bi, - i- covering the 20 different am

NIAID Data Ecosystem60

Input files for SAPT0 calculation in PSI4

量子化学

SAPT0计算

Input files for the Lower order symmetry adapted-perturbation theory calculation (SAPT0) calculation on LAB-TEA - Amino acid systems. The calculation is performed in the quantum chemistry package PSI4

Mendeley Data2024-05-10 更新40

Dependence Analysis of CCS.

氨基酸相互作用

生物信息学统计

Dependence analysis was performed on the SHAP values for the CCS data. The Mann-Whitney test was calculated for each amino acid at each position between the SHAP values given another amino acid at ano

NIAID Data Ecosystem30

Input files for SAPT0 calculation in PSI4

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