pKa Proteins

Connect to Database Server

---

• Database of the pKa of Amino Acids in Proteins

• Preparation of the protein 3D structures using Amber and CHARMM force fields (To download the structures you need to contact us via link.)

---

Predictions using Bootstrapping Swarm Artificial Neural Network (BASNN) Method: A Machine Learning Approach (An automated approach):

---

Figure: Predictions of pKa for different amino acids in proteins: (A) Size of the training dataset was ~70 %; (B) Size of the training dataset was ~80 %; (C) Size of the training dataset was ~85 %.

---

The source code of the software can be downloaded following this link: BSANN