Samuel Genheden (Former)

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2012
Mark Are homology models sufficiently good for free-energy simulations?
Genheden, Samuel ^LU (2012) In Journal of Chemical Information and Modeling 52(11). p.3013-3021
- Contribution to journal › Article
Mark Improving the Efficiency of Protein-Ligand Binding Free-Energy Calculations by System Truncation
Genheden, Samuel ^LU and Ryde, Ulf ^LU (2012) In Journal of Chemical Theory and Computation 8(4). p.1449-1458
- Contribution to journal › Article
Mark Binding affinities in the SAMPL3 trypsin and host-guest blind tests estimated with the MM/PBSA and LIE methods.
Mikulskis, Paulius ^LU ; Genheden, Samuel ^LU ; Rydberg, Patrik ^LU ; Sandberg, Lars ; Olsen, Lars and Ryde, Ulf ^LU (2012) In Journal of Computer-Aided Molecular Design 26(5). p.527-541
- Contribution to journal › Article
Mark A semiempirical approach to ligand-binding affinities: Dependence on the Hamiltonian and corrections.
Mikulskis, Paulius ^LU ; Genheden, Samuel ^LU ; Wichmann, Karin and Ryde, Ulf ^LU (2012) In Journal of Computational Chemistry 33(12). p.1179-1189
- Contribution to journal › Article
Mark Comparison of end-point continuum-solvation methods for the calculation of protein-ligand binding free energies.
Genheden, Samuel ^LU and Ryde, Ulf ^LU (2012) In Proteins 80(5). p.1326-1342
- Contribution to journal › Article
Mark Will molecular dynamics simulations of proteins ever reach equilibrium?
Genheden, Samuel ^LU and Ryde, Ulf ^LU (2012) In Physical chemistry chemical physics : PCCP 14(24). p.8662-8677
- Contribution to journal › Article
Mark On the estimation of ligand binding affinities
Genheden, Samuel ^LU (2012)
- Thesis › Doctoral thesis (compilation)
Mark Quantum mechanics in structure-based ligand design
Söderhjelm, Pär ^LU ; Genheden, Samuel ^LU and Ryde, Ulf ^LU (2012) In Methods and principles in medicinal chemistry 53. p.121-143
- Chapter in Book/Report/Conference proceeding › Book chapter
Mark The Normal-Mode Entropy in the MM/GBSA Method: Effect of System Truncation, Buffer Region, and Dielectric Constant
Genheden, Samuel ^LU ; Kuhn, Oliver ; Mikulskis, Paulius ^LU ; Hoffmann, Daniel and Ryde, Ulf ^LU (2012) In Journal of Chemical Information and Modeling 52(8). p.2079-2088
- Contribution to journal › Article
2011
Mark Comparison of the Efficiency of the LIE and MM/GBSA Methods to Calculate Ligand-Binding Energies
Genheden, Samuel ^LU and Ryde, Ulf ^LU (2011) In Journal of Chemical Theory and Computation 7(11). p.3768-3778
- Contribution to journal › Article