| scholarly article | Q13442814 |
| P50 | author | Karel Berka | Q43370830 |
| Markéta Paloncýová | Q61467084 | ||
| Michal Otyepka | Q37368799 | ||
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| P433 | issue | 4 | |
| P304 | page(s) | 1200-1211 | |
| P577 | publication date | 2012-02-24 | |
| P1433 | published in | Journal of Chemical Theory and Computation | Q1768377 |
| P1476 | title | Convergence of Free Energy Profile of Coumarin in Lipid Bilayer | |
| P478 | volume | 8 |
| Q34031018 | A method to predict blood-brain barrier permeability of drug-like compounds using molecular dynamics simulations |
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| Q34445710 | Back to the future: can physical models of passive membrane permeability help reduce drug candidate attrition and move us beyond QSPR? |
| Q51687584 | Characterization of molecular association of poly(2-oxazoline)s-based micelles with various epoxides and diols via the Flory-Huggins theory: a molecular dynamics simulation approach. |
| Q50921814 | Combination of anti-hypertensive drugs: a molecular dynamics simulation study. |
| Q39252509 | Drug permeability prediction using PMF method |
| Q50432403 | Dynamics and energetics of the mammalian phosphatidylinositol transfer protein phospholipid exchange cycle. |
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| Q30367786 | Enhanced Sampling of Coarse-Grained Transmembrane-Peptide Structure Formation from Hydrogen-Bond Replica Exchange. |
| Q47119154 | Entropy and Polarity Control the Partition and Transportation of Drug-like Molecules in Biological Membrane. |
| Q53042859 | From dioxin to dioxin congeners: understanding the differences in hydrophobic aggregation in water and absorption into lipid membranes by means of atomistic simulations. |
| Q41143699 | Mechanistic studies of the apical sodium-dependent bile acid transporter |
| Q64091996 | Molecular simulation as a computational pharmaceutics tool to predict drug solubility, solubilization processes and partitioning |
| Q37610577 | Partitioning into Colloidal Structures of Fasted State Intestinal Fluid Studied by Molecular Dynamics Simulations. |
| Q39291349 | Photouncaging of ceramides promotes reorganization of liquid-ordered domains in supported lipid bilayers. |
| Q53483815 | Predicting solute partitioning in lipid bilayers: Free energies and partition coefficients from molecular dynamics simulations and COSMOmic. |
| Q37614213 | Simulation-Based Approaches for Determining Membrane Permeability of Small Compounds |
| Q36603985 | Structural perturbation of a dipalmitoylphosphatidylcholine (DPPC) bilayer by warfarin and its bolaamphiphilic analogue: A molecular dynamics study |
| Q56878931 | Synergism of antioxidant action of vitamins E, C and quercetin is related to formation of molecular associations in biomembranes |
| Q37212896 | Two Relations to Estimate Membrane Permeability Using Milestoning |
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