SphereCon—a method for precise estimation of residue relative solvent accessible area from limited structural information | Zendy

Alexander Greß | Zendy; Olga V. Kalinina | Zendy

Open Access

SphereCon—a method for precise estimation of residue relative solvent accessible area from limited structural information

Author(s) -

Alexander Greß,

Olga V. Kalinina

Publication year - 2020

Publication title -

bioinformatics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 3.599

H-Index - 390

eISSN - 1367-4811

pISSN - 1367-4803

DOI - 10.1093/bioinformatics/btaa159

Subject(s) - accessible surface area , computer science , residue (chemistry) , computation , solvent , measure (data warehouse) , algorithm , protein structure , intersection (aeronautics) , data mining , biological system , chemistry , computational chemistry , biology , biochemistry , organic chemistry , engineering , aerospace engineering

In proteins, solvent accessibility of individual residues is a factor contributing to their importance for protein function and stability. Hence one might wish to calculate solvent accessibility in order to predict the impact of mutations, their pathogenicity and for other biomedical applications. A direct computation of solvent accessibility is only possible if all atoms of a protein three-dimensional structure are reliably resolved.

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