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2015
Mark The MM/PBSA and MM/GBSA methods to estimate ligand-binding affinities
Genheden, Samuel and Ryde, Ulf ^LU (2015) In Expert Opinion on Drug Discovery 10(5). p.449-461
- Contribution to journal › Scientific review
Mark Evaluating Force Fields for the Computational Prediction of Ionized Arginine and Lysine Side-Chains Partitioning into Lipid Bilayers and Octanol
Sun, Delin ; Forsman, Jan ^LU and Woodward, Clifford E. (2015) In Journal of Chemical Theory and Computation 11(4). p.1775-1791
- Contribution to journal › Article
Mark Amphipathic Membrane-Active Peptides Recognize and Stabilize Ruptured Membrane Pores: Exploring Cause and Effect with Coarse-Grained Simulations
Sun, Delin ; Forsman, Jan ^LU and Woodward, Clifford E. (2015) In Langmuir 31(2). p.752-761
- Contribution to journal › Article
Mark Temperature-Dependent Optical Properties of Flexible Donor - Acceptor Polymers
Hedström, Svante ^LU ; Henriksson, Patrik ; Wang, Ergang ; Andersson, Mats R. and Persson, Petter ^LU (2015) In Journal of Physical Chemistry C 119(12). p.6453-6463
- Contribution to journal › Article
Mark Binding affinities by alchemical perturbation using QM/MM with a large QM system and polarizable MM model.
Genheden, Samuel ; Ryde, Ulf ^LU and Söderhjelm, Pär ^LU (2015) In Journal of Computational Chemistry 36(28). p.2114-2124
- Contribution to journal › Article
Mark On the stability of aqueous dispersions containing conducting colloidal particles.
Szparaga, Ryan ^LU ; Woodward, Clifford E and Forsman, Jan ^LU (2015) In Soft Matter 11(20). p.4011-4021
- Contribution to journal › Article
Mark A Many-Body Hamiltonian for Nanoparticles Immersed in a Polymer Solution
Woodward, Clifford E. and Forsman, Jan ^LU (2015) In Langmuir 31(1). p.22-26
- Contribution to journal › Article
Mark Spectroscopic identification of ethanol-water conformers by large-amplitude hydrogen bond librational modes.
Andersen, J ; Heimdal, Jimmy ^LU and Wugt Larsen, R (2015) In Journal of Chemical Physics 143(22).
- Contribution to journal › Article
Mark Computational Predictions of Conjugated Polymer Properties for Photovoltaic Applications
Hedström, Svante ^LU (2015)
- Thesis › Doctoral thesis (compilation)
Mark Assessment of Computational Methods for Ligand Binding
Mikulskis, Paulius ^LU (2015)
- Thesis › Doctoral thesis (compilation)

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