Joint neighbors approximation of macromo
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Georgy Rychkov; Michael Petukhov
📂
Article
📅
2007
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John Wiley and Sons
🌐
English
⚖ 459 KB
## Abstract A new method for approximate analytical calculations of solvent accessible surface area (SASA) for arbitrary molecules and their gradients with respect to their atomic coordinates was developed. This method is based on the recursive procedure of pairwise joining of neighboring atoms. Un