publication venue for
- Rutin as promising drug for the treatment of Parkinson's disease: an assessment of MAO-B inhibitory potential by docking, molecular dynamics and DFT studies. 45:1563-1571. 2019
- Self-diffusion coefficient of bulk and confined water: a critical review of classical molecular simulation studies. 45:425-453. 2019
- Molecular dynamics simulations of the aggregation behaviour of overlapped graphene sheets in linear aliphatic hydrocarbons. 44:947-953. 2018
- Influence of simulation protocols on the efficiency of Gibbs ensemble Monte Carlo simulations. 39:1135-1142. 2013
- Influence of simulation protocols on the efficiency of Gibbs ensemble Monte Carlo simulations (vol 39, pg 1135, 2013). 39:1293-1293. 2013
- On the properties of aqueous amide solutions through classical molecular dynamics simulations. 33:925-938. 2007
- Structural Properties of Stage-2 Alkali-Metal Graphite Interclation Compounds. 10:41-59. 1993
- Grand Molecular Dynamics: A Method for Open Systems. 6:5-26. 1991
- Modelling and simulation of DNA-mediated self-assembly for superlattice design 2019
- Size effect on the stability of Cu-Ag nanoalloys 2009
- Solubility of gases and solvents in silicon polymers: molecular simulation and equation of state modeling 2007
- Surface segregation phenomena in Pt-Pd nanoparticles: dependence on nanocluster size 2006