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220822 ||| eng |
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|a 9783036527109
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|a 9783036527116
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|a books978-3-0365-2711-6
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100 |
1 |
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|a Borówko, Małgorzata
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245 |
0 |
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|a Advances in Molecular Simulation
|h Elektronische Ressource
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260 |
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|a Basel, Switzerland
|b MDPI - Multidisciplinary Digital Publishing Institute
|c 2021
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300 |
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|a 1 electronic resource (288 p.)
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653 |
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|a sampling
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|a water transport
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|a time-dependent Schrödinger equation
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|a crystallization
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|a local free energy landscape
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|a spectral properties of rhodopsins
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653 |
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|a surfactant molecules
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653 |
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|a phase transitions
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|a DFT
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|a colloids with competing interactions
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653 |
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|a molecular dynamics
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653 |
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|a membranes
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653 |
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|a time-dependent unitary transformation method
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653 |
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|a main protease
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|a three-dimensional reference interaction site model
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|a Technology: general issues / bicssc
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|a cluster
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|a graphene
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|a periodic microphases
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|a carbon nanotube
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|a SARS-CoV-2
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|a local sampling
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|a computer simulations
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|a CASTEP
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653 |
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|a extreme conditions
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653 |
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|a osmolyte
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653 |
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|a aiMD
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653 |
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|a atomic structure
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653 |
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|a parametrisation
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|a biological photosensors
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653 |
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|a confinement
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653 |
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|a hard sphere
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|a hairy nanoparticles
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|a molecular simulation
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|a polymorphism
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|a osmosis
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|a Kovalenko-Hirata closure
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|a DNA damage
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|a ab initio molecular dynamics
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653 |
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|a molecular modeling
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653 |
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|a nanochannel
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653 |
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|a protein-ligand binding
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653 |
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|a engineering of red-shifted rhodopsins
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|a semi-flexible polymers
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653 |
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|a many body interactions
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653 |
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|a biomolecular solvation
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653 |
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|a force field
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|a antibody
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|a gemini
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|a drag reduction
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|a laser-matter interaction
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|a antimicrobial
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|a n/a
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|a molecular dynamics simulation
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|a coarse graining
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|a multiscale
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|a mutation
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|a biomolecular simulation
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|a nanocomposites
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653 |
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|a Monte Carlo
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653 |
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|a toll-like receptor
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653 |
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|a self-assembly
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653 |
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|a photobiology
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653 |
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|a packing
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653 |
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|a 3CL protease
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653 |
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|a atomistic simulation
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653 |
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|a rhodopsins
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653 |
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|a multiple time step MD
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653 |
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|a compartment
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653 |
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|a COVID-19
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653 |
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|a force fields
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653 |
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|a phase transition
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653 |
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|a numerical method
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653 |
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|a coarse-grained molecular simulation
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653 |
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|a PF-07321332
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653 |
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|a nanocarriers
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653 |
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|a proton transport
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653 |
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|a Kramers-Henneberger frame
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653 |
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|a GPU programming
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653 |
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|a molecular solvation theory
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653 |
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|a Janus particles
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|a adsorption on nanoparticles
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653 |
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|a generalized solvation free energy
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653 |
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|a α-ketoamide
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|a strong-field ionization
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653 |
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|a epitope
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653 |
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|a spectral tuning in rhodopsins
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653 |
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|a Monte Carlo simulation
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653 |
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|a neural network
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653 |
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|a order parameter
|
700 |
1 |
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|a Borówko, Małgorzata
|
041 |
0 |
7 |
|a eng
|2 ISO 639-2
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989 |
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|b DOAB
|a Directory of Open Access Books
|
500 |
|
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|a Creative Commons (cc), https://creativecommons.org/licenses/by/4.0/
|
028 |
5 |
0 |
|a 10.3390/books978-3-0365-2711-6
|
856 |
4 |
0 |
|u https://www.mdpi.com/books/pdfview/book/4780
|7 0
|x Verlag
|3 Volltext
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856 |
4 |
2 |
|u https://directory.doabooks.org/handle/20.500.12854/77162
|z DOAB: description of the publication
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|a 333
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|a 380
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|a 700
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|a 600
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|a 620
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|a Molecular simulations are commonly used in physics, chemistry, biology, material science, engineering, and even medicine. This book provides a wide range of molecular simulation methods and their applications in various fields. It reflects the power of molecular simulation as an effective research tool. We hope that the presented results can provide an impetus for further fruitful studies.
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