"Nonbonded Force Field Parameters from Minimal Basis Iterative Stockholder ..."

Duván González et al. (2022)

> Home

Details and statistics

DOI: 10.1021/ACS.JCIM.2C00316

access: closed

type: Journal Article

metadata version: 2022-10-18

- view
  - electronic edition via DOI
  - unpaywalled version
  authority control:
- export record
  dblp key:
  - journals/jcisd/GonzalezMCVVV22
- ask others
- share record
  persistent URL:
  - https://dblp.org/rec/journals/jcisd/GonzalezMCVVV22
Duván González, Luis Macaya, Carlos Castillo-Orellana, Toon Verstraelen, Stefan Vogt-Geisse, Esteban Vöhringer-Martinez:
Nonbonded Force Field Parameters from Minimal Basis Iterative Stockholder Partitioning of the Molecular Electron Density Improve CB7 Host-Guest Affinity Predictions. J. Chem. Inf. Model. 62(17): 4162-4174 (2022)

manage site settings

To protect your privacy, all features that rely on external API calls from your browser are turned off by default. You need to opt-in for them to become active. All settings here will be stored as cookies with your web browser. For more information see our F.A.Q.