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Journal of Chemical Information and Modeling
|
August 17, 2011
Conformation-dependent QSPR models: logPOW
Markus Muehlbacher, Ahmed El Kerdawy, Christian Kramer, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
July 18, 2009
Counterions control the self-assembly of structurally persistent micelles: theoretical prediction and experimental observation of stabilization by sodium ions
Christof M Jäger, Andreas Hirsch, Boris Schade, et al.
Journal of Chemical Information and Modeling
|
May 23, 2013
Quantum mechanics-based properties for 3D-QSAR
Ahmed El Kerdawy, Stefan Güssregen, Hans Matter, et al.
Plos One
|
June 17, 2014
Active-state model of a dopamine D2 receptor-Gαi complex stabilized by aripiprazole-type partial agonists
Ralf C Kling, Nuska Tschammer, Harald Lanig, et al.
Journal of Chemical Information and Modeling
|
April 29, 2017
An Efficient Metadynamics-Based Protocol To Model the Binding Affinity and the Transition State Ensemble of G-Protein-Coupled Receptor Ligands
Noureldin Saleh, Passainte Ibrahim, Giorgio Saladino, et al.
The Journal of Chemical Physics
|
August 3, 2015
A multi-agent quantum Monte Carlo model for charge transport: Application to organic field-effect transistors
Thilo Bauer, Christof M Jäger, Meredith J T Jordan, et al.
Journal of Molecular Modeling
|
February 28, 2014
Self-consistent field convergence for proteins: a comparison of full and localized-molecular-orbital schemes
Christian R Wick, Matthias Hennemann, James J P Stewart, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
June 17, 2008
p-Phenyleneethynylene molecular wires: influence of structure on photoinduced electron-transfer properties
Mateusz Wielopolski, Carmen Atienza, Timothy Clark, et al.
Angewandte Chemie (International Ed. in English)
|
October 5, 2020
Energy Efficient Ultrahigh Flux Separation of Oily Pollutants from Water with Superhydrophilic Nanoscale Metal-Organic Framework Architectures
Andre Mähringer, Matthias Hennemann, Timothy Clark, et al.
Journal of Chemical Information and Modeling
|
May 10, 2023
General Metadynamics Protocol To Simulate Activation/Deactivation of Class A GPCRs: Proof of Principle for the Serotonin Receptor
Jacqueline C Calderón, Passainte Ibrahim, Dorothea Gobbo, et al.
Page
of 30
Search research articles
Search
Showing results (121-130 of 292) with videos related to
Sort By:
Page
of 30
Journal of Chemical Information and Modeling
|
August 17, 2011
Conformation-dependent QSPR models: logPOW
Markus Muehlbacher, Ahmed El Kerdawy, Christian Kramer, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
July 18, 2009
Counterions control the self-assembly of structurally persistent micelles: theoretical prediction and experimental observation of stabilization by sodium ions
Christof M Jäger, Andreas Hirsch, Boris Schade, et al.
Journal of Chemical Information and Modeling
|
May 23, 2013
Quantum mechanics-based properties for 3D-QSAR
Ahmed El Kerdawy, Stefan Güssregen, Hans Matter, et al.
Plos One
|
June 17, 2014
Active-state model of a dopamine D2 receptor-Gαi complex stabilized by aripiprazole-type partial agonists
Ralf C Kling, Nuska Tschammer, Harald Lanig, et al.
Journal of Chemical Information and Modeling
|
April 29, 2017
An Efficient Metadynamics-Based Protocol To Model the Binding Affinity and the Transition State Ensemble of G-Protein-Coupled Receptor Ligands
Noureldin Saleh, Passainte Ibrahim, Giorgio Saladino, et al.
The Journal of Chemical Physics
|
August 3, 2015
A multi-agent quantum Monte Carlo model for charge transport: Application to organic field-effect transistors
Thilo Bauer, Christof M Jäger, Meredith J T Jordan, et al.
Journal of Molecular Modeling
|
February 28, 2014
Self-consistent field convergence for proteins: a comparison of full and localized-molecular-orbital schemes
Christian R Wick, Matthias Hennemann, James J P Stewart, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
June 17, 2008
p-Phenyleneethynylene molecular wires: influence of structure on photoinduced electron-transfer properties
Mateusz Wielopolski, Carmen Atienza, Timothy Clark, et al.
Angewandte Chemie (International Ed. in English)
|
October 5, 2020
Energy Efficient Ultrahigh Flux Separation of Oily Pollutants from Water with Superhydrophilic Nanoscale Metal-Organic Framework Architectures
Andre Mähringer, Matthias Hennemann, Timothy Clark, et al.
Journal of Chemical Information and Modeling
|
May 10, 2023
General Metadynamics Protocol To Simulate Activation/Deactivation of Class A GPCRs: Proof of Principle for the Serotonin Receptor
Jacqueline C Calderón, Passainte Ibrahim, Dorothea Gobbo, et al.
Page
of 30