Key Metrics
CiteScore 

3.7
H-Index 

63
Impact Factor 

< 5
SJR 

Q2Information Systems

SNIP 

0.6
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Topics Covered on Molecular Simulation
Molecular Simulation Journal Specifications
| Overview | |
| Publisher | TAYLOR & FRANCIS LTD |
| Language | Multi-Language |
| Frequency | Monthly |
| General Details | |
| Language | Multi-Language |
| Frequency | Monthly |
| Publication Start Year | 1987 |
| Publisher URL | Visit website |
| Website URL | Visit website |
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Recently Published Papers in Molecular Simulation
Molecular dynamics simulation of the effect of irradiation defects on the mechanical properties of gold
- 8 May 2026
- Molecular Simulation
Comparative in silico investigation of costunolide and dehydrocostus lactone as potential PTEN modulators: DFT, molecular docking and molecular dynamics approaches
- 8 May 2026
- Molecular Simulation
Plausibility of transition metals (Cr and Mo) doped aluminium nitride nanotubes as electrode materials for GABA sensors: A DFT inquisition
- 8 May 2026
- Molecular Simulation
Effect of hydrogen on dislocation dynamics and vacancy formation in Fe-C systems: insights into fracture mechanisms from molecular dynamics simulations
- 7 May 2026
- Molecular Simulation
Study on the microscopic mechanism of oil displacement by modified nanoparticles based on molecular dynamics
- 6 May 2026
- Molecular Simulation
Laminar flow behavior of water through microscale pores of cementitious materials simulated by molecular dynamics method
- 1 May 2026
- Molecular Simulation
Molecular dynamics simulation of the effect of irradiation defects on the mechanical properties of gold
- 8 May 2026
- Molecular Simulation
Comparative in silico investigation of costunolide and dehydrocostus lactone as potential PTEN modulators: DFT, molecular docking and molecular dynamics approaches
- 8 May 2026
- Molecular Simulation
Plausibility of transition metals (Cr and Mo) doped aluminium nitride nanotubes as electrode materials for GABA sensors: A DFT inquisition
- 8 May 2026
- Molecular Simulation
Effect of hydrogen on dislocation dynamics and vacancy formation in Fe-C systems: insights into fracture mechanisms from molecular dynamics simulations
- 7 May 2026
- Molecular Simulation
Study on the microscopic mechanism of oil displacement by modified nanoparticles based on molecular dynamics
- 6 May 2026
- Molecular Simulation
Laminar flow behavior of water through microscale pores of cementitious materials simulated by molecular dynamics method
- 1 May 2026
- Molecular Simulation
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