Robust and Efficient Implicit Solvation Model for Fast Semiempirical Methods
We present a robust and efficient method to implicitly account for solvation effects in modern semiempirical quantum mechanics and force fields. A computationally efficient yet accurate solvation model based on the analytical linearized Poisson-Boltzmann (ALPB) model is parameterized for the extende...
Saved in:
| Published in: | Journal of chemical theory and computation Vol. 17; no. 7; p. 4250 |
|---|---|
| Main Authors: | , , , |
| Format: | Journal Article |
| Language: | English |
| Published: |
13.07.2021
|
| ISSN: | 1549-9626, 1549-9626 |
| Online Access: | Get more information |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Be the first to leave a comment!