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Dive into the research topics of 'X-pol potential: An electronic structure-based force field for molecular dynamics simulation of a solvated protein in water'. Together they form a unique fingerprint.
Physics & Astronomy
field theory (physics)
proteins
electronic structure
molecular dynamics
water
polarization
standard deviation
charge transfer
simulation
trypsin
alanine
inhibitors
cells
electronics
inclusions
wave functions
boundary conditions
evaluation
atoms
electrons
Chemical Compounds
Electronic structure
Molecular dynamics
Polarization
Water
Charge transfer
Computer simulation
Proteins
Wave functions
Aprotinin
Atoms
Alanine
Electrons
Boundary conditions
Engineering & Materials Science
Electronic structure
Molecular dynamics
Proteins
Polarization
Charge transfer
Computer simulation
Water
Wave functions
Atoms
Electrons
Boundary conditions