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Journal of Chemical Theory and Computation
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August 6, 2016
Extended Thermodynamic Integration: Efficient Prediction of Lambda Derivatives at Nonsimulated Points
Anita de Ruiter, Chris Oostenbrink
Current Opinion in Chemical Biology
|
June 21, 2011
Free energy calculations of protein-ligand interactions
Anita de Ruiter, Chris Oostenbrink
Nucleic Acids Research
|
January 1, 2015
Absolute binding-free energies between standard RNA/DNA nucleobases and amino-acid sidechain analogs in different environments
Anita de Ruiter, Bojan Zagrovic
Current Opinion in Structural Biology
|
February 24, 2020
Advances in the calculation of binding free energies
Anita de Ruiter, Chris Oostenbrink
Journal of Chemical Theory and Computation
|
November 24, 2015
Efficient and Accurate Free Energy Calculations on Trypsin Inhibitors
Anita de Ruiter, Chris Oostenbrink
Journal of Chemical Theory and Computation
|
November 21, 2015
Protein-Ligand Binding from Distancefield Distances and Hamiltonian Replica Exchange Simulations
Anita de Ruiter, Chris Oostenbrink
Journal of Computational Chemistry
|
January 22, 2013
Comparison of thermodynamic integration and Bennett acceptance ratio for calculating relative protein-ligand binding free energies
Anita de Ruiter, Stefan Boresch, Chris Oostenbrink
Journal of Chemical Theory and Computation
|
December 22, 2020
Optimization of Alchemical Pathways Using Extended Thermodynamic Integration
Anita de Ruiter, Drazen Petrov, Chris Oostenbrink
Journal of Medicinal Chemistry
|
November 13, 2008
Impact of plasticity and flexibility on docking results for cytochrome P450 2D6: a combined approach of molecular dynamics and ligand docking
Jozef Hritz, Anita de Ruiter, Chris Oostenbrink
Journal of Chemical Theory and Computation
|
August 3, 2017
Dependence of Binding Free Energies between RNA Nucleobases and Protein Side Chains on Local Dielectric Properties
Anita de Ruiter, Anton A Polyansky, Bojan Zagrovic
Page
of 2
Search research articles
Search
Showing results (1-10 of 17) with videos related to
Sort By:
Page
of 2
Journal of Chemical Theory and Computation
|
August 6, 2016
Extended Thermodynamic Integration: Efficient Prediction of Lambda Derivatives at Nonsimulated Points
Anita de Ruiter, Chris Oostenbrink
Current Opinion in Chemical Biology
|
June 21, 2011
Free energy calculations of protein-ligand interactions
Anita de Ruiter, Chris Oostenbrink
Nucleic Acids Research
|
January 1, 2015
Absolute binding-free energies between standard RNA/DNA nucleobases and amino-acid sidechain analogs in different environments
Anita de Ruiter, Bojan Zagrovic
Current Opinion in Structural Biology
|
February 24, 2020
Advances in the calculation of binding free energies
Anita de Ruiter, Chris Oostenbrink
Journal of Chemical Theory and Computation
|
November 24, 2015
Efficient and Accurate Free Energy Calculations on Trypsin Inhibitors
Anita de Ruiter, Chris Oostenbrink
Journal of Chemical Theory and Computation
|
November 21, 2015
Protein-Ligand Binding from Distancefield Distances and Hamiltonian Replica Exchange Simulations
Anita de Ruiter, Chris Oostenbrink
Journal of Computational Chemistry
|
January 22, 2013
Comparison of thermodynamic integration and Bennett acceptance ratio for calculating relative protein-ligand binding free energies
Anita de Ruiter, Stefan Boresch, Chris Oostenbrink
Journal of Chemical Theory and Computation
|
December 22, 2020
Optimization of Alchemical Pathways Using Extended Thermodynamic Integration
Anita de Ruiter, Drazen Petrov, Chris Oostenbrink
Journal of Medicinal Chemistry
|
November 13, 2008
Impact of plasticity and flexibility on docking results for cytochrome P450 2D6: a combined approach of molecular dynamics and ligand docking
Jozef Hritz, Anita de Ruiter, Chris Oostenbrink
Journal of Chemical Theory and Computation
|
August 3, 2017
Dependence of Binding Free Energies between RNA Nucleobases and Protein Side Chains on Local Dielectric Properties
Anita de Ruiter, Anton A Polyansky, Bojan Zagrovic
Page
of 2