| 1 |
Molecular modelling and quantum mechanical calculations of the hydration free energy of buckminsterfullerene
Luzhkov VB, Volokhov VM, Pokatovich GA
Chemical Physics Letters, 676, 95, 2017 |
| 2 |
Calculation of PMF from the WHAM and FEP molecular dynamics simulations: Case study of the methane dimer in water
Luzhkov VB
Chemical Physics Letters, 452(1-3), 72, 2008 |
| 3 |
Computational study of the influence of solvent on O-16/O-18 equilibrium isotope effects in phosphate deprotonation reactions
Kolmodin K, Luzhkov VB, Aqvist J
Journal of the American Chemical Society, 124(34), 10130, 2002 |
| 4 |
Empirical valence bond study of radical reactions: hydrogen atom transfer in peroxidation of phenol
Luzhkov VB
Chemical Physics Letters, 345(3-4), 345, 2001 |
| 5 |
Computer Modeling of Phenyl Acetate Hydrolysis in Water and in Reaction with Beta-Cyclodextrin - Molecular-Orbital Calculations with the Semiempirical AM1 Method and the Langevin Dipole Solvent Model
Luzhkov VB, Venanzi CA
Journal of Physical Chemistry, 99(8), 2312, 1995 |
| 6 |
Molecular-Dynamics and Static Solvation Studies of Amiloride
Buono RA, Venanzi TJ, Zauhar RJ, Luzhkov VB, Venanzi CA
Journal of the American Chemical Society, 116(4), 1502, 1994 |
