| 1 |
Adsorption of impurities in vegetable oil: A molecular modelling study
Vuorte M, Vierros S, Kuitunen S, Sammalkorpi M
Journal of Colloid and Interface Science, 571, 55, 2020 |
| 2 |
Amorphous paracrystalline structures from native crystalline cellulose: A molecular dynamics protocol
Bregado JL, Secchi AR, Tavares FW, Rodrigues DD, Gambetta R
Fluid Phase Equilibria, 491, 56, 2019 |
| 3 |
Influence of various force fields in estimating the binding affinity of acetylcholinesterase inhibitors using fast pulling of ligand scheme
Tama NM, Vu KB, Vu VV, Ngo ST
Chemical Physics Letters, 701, 65, 2018 |
| 4 |
A Comparative Study of the Second-Order Hydrophobic Moments for Globular Proteins: The Consensus Scale of Hydrophobicity and the CHARMM Partial Atomic Charges
Tsai CF, Lee KJ
International Journal of Molecular Sciences, 12(12), 8449, 2011 |
| 5 |
State conditions transferability of vapor-liquid equilibria via fluctuation solution theory with correlation function integrals from molecular dynamics simulation
Christensen S, Peters GH, Hansen FY, O'Connell JP, Abildskov J
Fluid Phase Equilibria, 260(2), 169, 2007 |
| 6 |
Interaction between aromatic residues. Molecular dynamics and ab initio exploration of the potential energy surface of the tryptophan-histidine pair
Gervasio FL, Procacci P, Cardini G, Guarna A, Giolitti A, Schettino V
Journal of Physical Chemistry B, 104(5), 1108, 2000 |
| 7 |
Molecular dynamics simulation of benzenethiolate and benzyl mercaptide on Au(111)
Jung HH, Do Won Y, Shin S, Kim K
Langmuir, 15(4), 1147, 1999 |
| 8 |
Second-order nonlinear optical properties of the four tetranitrotetrapropoxycalix[4]arene conformers
Kenis PJA, Noordman OFJ, Houbrechts S, van Hummel GJ, Harkema S, van Veggel FCJM, Clays K, Engbersen JFJ, Persoons A, van Hulst NF, Reinhoudt DN
Journal of the American Chemical Society, 120(31), 7875, 1998 |
