Obtaining QM/MM binding free energies in the SAMPL8 drugs of abuse challenge: indirect approaches
- Location
-
Deutsche Nationalbibliothek Frankfurt am Main
- ISSN
-
1573-4951
- Extent
-
Online-Ressource
- Language
-
Englisch
- Notes
-
online resource.
- Bibliographic citation
-
Obtaining QM/MM binding free energies in the SAMPL8 drugs of abuse challenge: indirect approaches ; volume:36 ; number:4 ; day:22 ; month:5 ; year:2022 ; pages:263-277 ; date:4.2022
Journal of computer aided molecular design ; 36, Heft 4 (22.5.2022), 263-277, 4.2022
- Creator
-
Hudson, Phillip S.
Aviat, Félix
Meana-Pañeda, Rubén
Warrensford, Luke
Pollard, Benjamin C.
Prasad, Samarjeet
Jones, Michael R.
Woodcock, H. Lee
Brooks, Bernard R.
- Contributor
-
SpringerLink (Online service)
- DOI
-
10.1007/s10822-022-00443-8
- URN
-
urn:nbn:de:101:1-2022073008074377331699
- Rights
-
Open Access; Der Zugriff auf das Objekt ist unbeschränkt möglich.
- Last update
-
15.08.2025, 7:27 AM CEST
Data provider
This object is provided by:
Deutsche Nationalbibliothek. If you have any questions about the object, please contact the data provider.
Deutsche Nationalbibliothek. If you have any questions about the object, please contact the data provider.
Associated
- Hudson, Phillip S.
- Aviat, Félix
- Meana-Pañeda, Rubén
- Warrensford, Luke
- Pollard, Benjamin C.
- Prasad, Samarjeet
- Jones, Michael R.
- Woodcock, H. Lee
- Brooks, Bernard R.
- SpringerLink (Online service)
Other Objects (12)
An Incremental Scheme for correlation energies including expansions for occupied and virtual spaces through QM/QM embedding
Obtaining generating functions
Obtaining the true NMHC data for ambient air in urban: comparison of NMHC data between indirect and direct methods
Obtaining Textured Nickel Antimonide Films
"Abuse"
"Abuse
"Abuse
"Abuse
Abuse
ABUSE
"Abuse
"Abuse
An Incremental Scheme for correlation energies including expansions for occupied and virtual spaces through QM/QM embedding
Obtaining generating functions
Obtaining the true NMHC data for ambient air in urban: comparison of NMHC data between indirect and direct methods
Obtaining Textured Nickel Antimonide Films
"Abuse"
"Abuse
"Abuse
"Abuse
Abuse
ABUSE
"Abuse
"Abuse
An Incremental Scheme for correlation energies including expansions for occupied and virtual spaces through QM/QM embedding
Obtaining generating functions
Obtaining the true NMHC data for ambient air in urban: comparison of NMHC data between indirect and direct methods
Obtaining Textured Nickel Antimonide Films
"Abuse"
"Abuse
"Abuse
"Abuse
Abuse
ABUSE
"Abuse