Effect of substrate on the responsive behaviour of functionalised surfaces: Insights from molecular simulation
- Kamron J. Ley
- Lachlan A. Shaw
- et al.
- 2015
- Molecular Simulation
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Linear interaction energy approximation for binding affinities of nevirapine and HEPT analogues with HIV-1 reverse transcriptase
- Antonios Tavlarakis
- Ruhong Zhou
- 2009
- Molecular Simulation
A combined steepest descent and genetic algorithm (SD/GA) approach for the optimization of solvation parameters
- Ting Liu
- Lei Ye
- et al.
- 2006
- Molecular Simulation