TY - BOOK AU - Borówko, Małgorzata TI - Advances in Molecular Simulation SN - 9783040000000 KW - molecular dynamics simulation||osmosis||water transport||nanochannel||carbon nanotube||graphene||osmolyte||compartment||rhodopsins||spectral properties of rhodopsins||spectral tuning in rhodopsins||engineering of red-shifted rhodopsins||photobiology||biological photosensors||molecular modeling||multiscale||coarse graining||Monte Carlo simulation||force fields||neural network||many body interactions||sampling||local sampling||local free energy landscape||generalized solvation free energy||molecular solvation theory||three-dimensional reference interaction site model||Kovalenko-Hirata closure||biomolecular simulation||multiple time step MD||protein-ligand binding||biomolecular solvation||antibody||epitope||molecular dynamics||mutation||toll-like receptor||GPU programming||DNA damage||proton transport||drag reduction||surfactant molecules||self-assembly||coarse-grained molecular simulation||numerical method||laser-matter interaction||time-dependent Schrödinger equation||time-dependent unitary transformation method||strong-field ionization||Kramers-Henneberger frame||hairy nanoparticles||adsorption on nanoparticles||nanocarriers||computer simulations||COVID-19||SARS-CoV-2||PF-07321332||α-ketoamide||3CL protease||main protease||DFT||CASTEP||aiMD||ab initio molecular dynamics||phase transition||polymorphism||Janus particles||phase transitions||gemini||force field||parametrisation||antimicrobial||membranes||colloids with competing interactions||periodic microphases||confinement||Monte Carlo||atomistic simulation||molecular simulation||hard sphere||extreme conditions||nanocomposites||cluster||crystallization||atomic structure||packing||semi-flexible polymers||order parameter||n/a UR - https://mdpi.com/books/pdfview/book/4780 ER -