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- 2012
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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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Density functional theory for Yukawa fluids
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- Contribution to journal › Article
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Attraction between neutral dielectrics mediated by multivalent ions in an asymmetric ionic fluid
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- Contribution to journal › Article
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Photoinduced electron transfer processes in dye-semiconductor systems with different spacer groups
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- Contribution to journal › Article
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Are homology models sufficiently good for free-energy simulations?
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- Contribution to journal › Article
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Transferability of conformational dependent charges from protein simulations
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- Contribution to journal › Article
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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
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Polydisperse Telechelic Polymers at Interfaces: Analytic Results and Density Functional Theory
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- Contribution to journal › Article
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Coupled Cluster and Moller-Plesset Perturbation Theory Calculations of Noncovalent Intermolecular Interactions using Density Fitting with Auxiliary Basis Sets from Cholesky Decompositions
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- Contribution to journal › Article
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Mark
Improving the Efficiency of Protein-Ligand Binding Free-Energy Calculations by System Truncation
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- Contribution to journal › Article