검색결과 : 20건
| No. | Article |
|---|---|
| 1 |
Small Molecule Thermochemistry: A Tool for Empirical Force Field Development van der Spoel D, Ghahremanpour MM, Lemkul JA Journal of Physical Chemistry A, 122(45), 8982, 2018 |
| 2 |
Impact of Dispersion Coefficient on Simulations of Proteins and Organic Liquids Bashardanesh Z, van der Spoel D Journal of Physical Chemistry B, 122(33), 8018, 2018 |
| 3 |
Water Determines the Structure and Dynamics of Proteins Bellissent-Funel MC, Hassanali A, Havenith M, Henchman R, Pohl P, Sterpone F, van der Spoel D, Xu Y, Garcia AE Chemical Reviews, 116(13), 7673, 2016 |
| 4 |
Atomistic Simulation of Protein Encapsulation in Metal-Organic Frameworks Zhang HY, Lv YQ, Tan TW, van der Spoel D Journal of Physical Chemistry B, 120(3), 477, 2016 |
| 5 |
CO2 and O-2 Distribution in Rubisco Suggests the Small Subunit Functions as a CO2 Reservoir van Lun M, Hub JS, van der Spoel D, Andersson I Journal of the American Chemical Society, 136(8), 3165, 2014 |
| 6 |
Insight into the Structural Deformations of Beta-Cyclodextrin Caused by Alcohol Cosolvents and Guest Molecules Zhang HY, Ge CL, van der Spoel D, Feng W, Tan TW Journal of Physical Chemistry B, 116(12), 3880, 2012 |
| 7 |
Free Energy of Separation of Structure II Clathrate Hydrate in Water and a Light Oil Saethre BS, van der Spoel D, Hoffmann AC Journal of Physical Chemistry B, 116(20), 5933, 2012 |
| 8 |
Molecular Recognition in Different Environments: beta-Cyclodextrin Dimer Formation in Organic Solvents Zhang HY, Tan TW, Feng W, van der Spoel D Journal of Physical Chemistry B, 116(42), 12684, 2012 |
| 9 |
Large Influence of Cholesterol on Solute Partitioning into Lipid Membranes Wennberg CL, van der Spoel D, Hub JS Journal of the American Chemical Society, 134(11), 5351, 2012 |
| 10 |
A density functional study of N-15 chemical shielding tensors in quinolines Behzadi H, Esrafili MD, Beheshtian J, Hadipour NL, van der Spoel D Chemical Physics Letters, 476(4-6), 196, 2009 |