Advances in Molecular Simulation

doi:10.3390/books978-3-0365-2711-6

dc.contributor.editor	Borówko, Małgorzata
dc.date.accessioned	2022-01-11T13:54:22Z
dc.date.available	2022-01-11T13:54:22Z
dc.date.issued	2021
dc.identifier	ONIX_20220111_9783036527109_993
dc.identifier.uri	https://directory.doabooks.org/handle/20.500.12854/77162
dc.description.abstract	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.
dc.language	English
dc.subject.classification	thema EDItEUR::T Technology, Engineering, Agriculture, Industrial processes::TB Technology: general issues	en_US
dc.subject.other	molecular dynamics simulation
dc.subject.other	osmosis
dc.subject.other	water transport
dc.subject.other	nanochannel
dc.subject.other	carbon nanotube
dc.subject.other	graphene
dc.subject.other	osmolyte
dc.subject.other	compartment
dc.subject.other	rhodopsins
dc.subject.other	spectral properties of rhodopsins
dc.subject.other	spectral tuning in rhodopsins
dc.subject.other	engineering of red-shifted rhodopsins
dc.subject.other	photobiology
dc.subject.other	biological photosensors
dc.subject.other	molecular modeling
dc.subject.other	multiscale
dc.subject.other	coarse graining
dc.subject.other	Monte Carlo simulation
dc.subject.other	force fields
dc.subject.other	neural network
dc.subject.other	many body interactions
dc.subject.other	sampling
dc.subject.other	local sampling
dc.subject.other	local free energy landscape
dc.subject.other	generalized solvation free energy
dc.subject.other	molecular solvation theory
dc.subject.other	three-dimensional reference interaction site model
dc.subject.other	Kovalenko-Hirata closure
dc.subject.other	biomolecular simulation
dc.subject.other	multiple time step MD
dc.subject.other	protein-ligand binding
dc.subject.other	biomolecular solvation
dc.subject.other	antibody
dc.subject.other	epitope
dc.subject.other	molecular dynamics
dc.subject.other	mutation
dc.subject.other	toll-like receptor
dc.subject.other	GPU programming
dc.subject.other	DNA damage
dc.subject.other	proton transport
dc.subject.other	drag reduction
dc.subject.other	surfactant molecules
dc.subject.other	self-assembly
dc.subject.other	coarse-grained molecular simulation
dc.subject.other	numerical method
dc.subject.other	laser-matter interaction
dc.subject.other	time-dependent Schrödinger equation
dc.subject.other	time-dependent unitary transformation method
dc.subject.other	strong-field ionization
dc.subject.other	Kramers-Henneberger frame
dc.subject.other	hairy nanoparticles
dc.subject.other	adsorption on nanoparticles
dc.subject.other	nanocarriers
dc.subject.other	computer simulations
dc.subject.other	COVID-19
dc.subject.other	SARS-CoV-2
dc.subject.other	PF-07321332
dc.subject.other	α-ketoamide
dc.subject.other	3CL protease
dc.subject.other	main protease
dc.subject.other	DFT
dc.subject.other	CASTEP
dc.subject.other	aiMD
dc.subject.other	ab initio molecular dynamics
dc.subject.other	phase transition
dc.subject.other	polymorphism
dc.subject.other	Janus particles
dc.subject.other	phase transitions
dc.subject.other	gemini
dc.subject.other	force field
dc.subject.other	parametrisation
dc.subject.other	antimicrobial
dc.subject.other	membranes
dc.subject.other	colloids with competing interactions
dc.subject.other	periodic microphases
dc.subject.other	confinement
dc.subject.other	Monte Carlo
dc.subject.other	atomistic simulation
dc.subject.other	molecular simulation
dc.subject.other	hard sphere
dc.subject.other	extreme conditions
dc.subject.other	nanocomposites
dc.subject.other	cluster
dc.subject.other	crystallization
dc.subject.other	atomic structure
dc.subject.other	packing
dc.subject.other	semi-flexible polymers
dc.subject.other	order parameter
dc.subject.other	n/a
dc.title	Advances in Molecular Simulation
dc.type	book
oapen.identifier.doi	10.3390/books978-3-0365-2711-6
oapen.relation.isPublishedBy	46cabcaa-dd94-4bfe-87b4-55023c1b36d0
oapen.relation.isbn	9783036527109
oapen.relation.isbn	9783036527116
oapen.pages	288
oapen.place.publication	Basel, Switzerland

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