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Journal of Molecular Graphics & Modelling
|
October 23, 2016
Binding affinity models for Falcipain inhibition based on the Linear Interaction Energy method
Vasanthanathan Poongavanam, Jacob Kongsted
The Journal of Chemical Physics
|
October 24, 2007
Vibrational and thermal effects on the dipole polarizability of methane and carbon tetrachloride from vibrational structure calculations
Jacob Kongsted, Ove Christiansen
Journal of Chemical Theory and Computation
|
November 18, 2015
Electronic Energy Transfer in Polarizable Heterogeneous Environments: A Systematic Investigation of Different Quantum Chemical Approaches
Casper Steinmann, Jacob Kongsted
The Journal of Physical Chemistry. A
|
September 12, 2007
How to model solvent effects on molecular properties using quantum chemistry? Insights from polarizable discrete or continuum solvation models
Jacob Kongsted, Benedetta Mennucci
The Journal of Chemical Physics
|
October 4, 2006
Automatic generation of force fields and property surfaces for use in variational vibrational calculations of anharmonic vibrational energies and zero-point vibrational averaged properties
Jacob Kongsted, Ove Christiansen
Plos One
|
September 26, 2013
Virtual screening models for prediction of HIV-1 RT associated RNase H inhibition
Vasanthanathan Poongavanam, Jacob Kongsted
Journal of Computer-Aided Molecular Design
|
September 11, 2008
An improved method to predict the entropy term with the MM/PBSA approach
Jacob Kongsted, Ulf Ryde
Journal of Chemical Information and Modeling
|
October 30, 2024
Introducing SpaceGA: A Search Tool to Accelerate Large Virtual Screenings of Combinatorial Libraries
Laust Moesgaard, Jacob Kongsted
Journal of Chemical Theory and Computation
|
December 24, 2021
Fast Approximate but Accurate QM/MM Interactions for Polarizable Embedding
Peter Reinholdt, Jacob Kongsted, Filippo Lipparini
Journal of Chemical Theory and Computation
|
December 1, 2015
Ligand Affinities Estimated by Quantum Chemical Calculations
Pär Söderhjelm, Jacob Kongsted, Ulf Ryde
Page
of 25
Search research articles
Search
Showing results (1-10 of 242) with videos related to
Sort By:
Page
of 25
Journal of Molecular Graphics & Modelling
|
October 23, 2016
Binding affinity models for Falcipain inhibition based on the Linear Interaction Energy method
Vasanthanathan Poongavanam, Jacob Kongsted
The Journal of Chemical Physics
|
October 24, 2007
Vibrational and thermal effects on the dipole polarizability of methane and carbon tetrachloride from vibrational structure calculations
Jacob Kongsted, Ove Christiansen
Journal of Chemical Theory and Computation
|
November 18, 2015
Electronic Energy Transfer in Polarizable Heterogeneous Environments: A Systematic Investigation of Different Quantum Chemical Approaches
Casper Steinmann, Jacob Kongsted
The Journal of Physical Chemistry. A
|
September 12, 2007
How to model solvent effects on molecular properties using quantum chemistry? Insights from polarizable discrete or continuum solvation models
Jacob Kongsted, Benedetta Mennucci
The Journal of Chemical Physics
|
October 4, 2006
Automatic generation of force fields and property surfaces for use in variational vibrational calculations of anharmonic vibrational energies and zero-point vibrational averaged properties
Jacob Kongsted, Ove Christiansen
Plos One
|
September 26, 2013
Virtual screening models for prediction of HIV-1 RT associated RNase H inhibition
Vasanthanathan Poongavanam, Jacob Kongsted
Journal of Computer-Aided Molecular Design
|
September 11, 2008
An improved method to predict the entropy term with the MM/PBSA approach
Jacob Kongsted, Ulf Ryde
Journal of Chemical Information and Modeling
|
October 30, 2024
Introducing SpaceGA: A Search Tool to Accelerate Large Virtual Screenings of Combinatorial Libraries
Laust Moesgaard, Jacob Kongsted
Journal of Chemical Theory and Computation
|
December 24, 2021
Fast Approximate but Accurate QM/MM Interactions for Polarizable Embedding
Peter Reinholdt, Jacob Kongsted, Filippo Lipparini
Journal of Chemical Theory and Computation
|
December 1, 2015
Ligand Affinities Estimated by Quantum Chemical Calculations
Pär Söderhjelm, Jacob Kongsted, Ulf Ryde
Page
of 25