Samuel Genheden (Former)
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- 2013
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Mark
Amino Acid Oxidation of Candida antarctica Lipase B Studied by Molecular Dynamics Simulations and Site-Directed Mutagenesis
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- Contribution to journal › Article
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Mark
Comparison of MM/GBSA calculations based on explicit and implicit solvent simulations.
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- Contribution to journal › Article
- 2012
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Mark
Comparison of end-point continuum-solvation methods for the calculation of protein-ligand binding free energies.
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- Contribution to journal › Article
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Mark
A semiempirical approach to ligand-binding affinities: Dependence on the Hamiltonian and corrections.
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- Contribution to journal › Article
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Mark
Will molecular dynamics simulations of proteins ever reach equilibrium?
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- Contribution to journal › Article
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Mark
Binding affinities in the SAMPL3 trypsin and host-guest blind tests estimated with the MM/PBSA and LIE methods.
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- Contribution to journal › Article
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Mark
Can the protonation state of histidine residues be determined from molecular dynamics simulations?
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- Contribution to journal › Article
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Mark
Transferability of conformational dependent charges from protein simulations
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- Contribution to journal › Article
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Mark
The Carbohydrate-Binding Site in Galectin-3 Is Preorganized To Recognize a Sugarlike Framework of Oxygens: Ultra-High-Resolution Structures and Water Dynamics
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- Contribution to journal › Article
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Mark
The Normal-Mode Entropy in the MM/GBSA Method: Effect of System Truncation, Buffer Region, and Dielectric Constant
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- Contribution to journal › Article