LEADER 04425nam 2201393z- 450 001 9910557587203321 005 20220111 035 $a(CKB)5400000000043776 035 $a(oapen)https://directory.doabooks.org/handle/20.500.12854/77162 035 $a(oapen)doab77162 035 $a(EXLCZ)995400000000043776 100 $a20202201d2021 |y 0 101 0 $aeng 135 $aurmn|---annan 181 $ctxt$2rdacontent 182 $cc$2rdamedia 183 $acr$2rdacarrier 200 00$aAdvances in Molecular Simulation 210 $aBasel, Switzerland$cMDPI - Multidisciplinary Digital Publishing Institute$d2021 215 $a1 online resource (288 p.) 311 08$a3-0365-2710-9 311 08$a3-0365-2711-7 330 $aMolecular 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. 606 $aTechnology: general issues$2bicssc 610 $a3CL protease 610 $aab initio molecular dynamics 610 $aadsorption on nanoparticles 610 $aaiMD 610 $aantibody 610 $aantimicrobial 610 $aatomic structure 610 $aatomistic simulation 610 $abiological photosensors 610 $abiomolecular simulation 610 $abiomolecular solvation 610 $acarbon nanotube 610 $aCASTEP 610 $acluster 610 $acoarse graining 610 $acoarse-grained molecular simulation 610 $acolloids with competing interactions 610 $acompartment 610 $acomputer simulations 610 $aconfinement 610 $aCOVID-19 610 $acrystallization 610 $aDFT 610 $aDNA damage 610 $adrag reduction 610 $aengineering of red-shifted rhodopsins 610 $aepitope 610 $aextreme conditions 610 $aforce field 610 $aforce fields 610 $agemini 610 $ageneralized solvation free energy 610 $aGPU programming 610 $agraphene 610 $ahairy nanoparticles 610 $ahard sphere 610 $aJanus particles 610 $aKovalenko-Hirata closure 610 $aKramers-Henneberger frame 610 $alaser-matter interaction 610 $alocal free energy landscape 610 $alocal sampling 610 $amain protease 610 $amany body interactions 610 $amembranes 610 $amolecular dynamics 610 $amolecular dynamics simulation 610 $amolecular modeling 610 $amolecular simulation 610 $amolecular solvation theory 610 $aMonte Carlo 610 $aMonte Carlo simulation 610 $amultiple time step MD 610 $amultiscale 610 $amutation 610 $an/a 610 $ananocarriers 610 $ananochannel 610 $ananocomposites 610 $aneural network 610 $anumerical method 610 $aorder parameter 610 $aosmolyte 610 $aosmosis 610 $apacking 610 $aparametrisation 610 $aperiodic microphases 610 $aPF-07321332 610 $aphase transition 610 $aphase transitions 610 $aphotobiology 610 $apolymorphism 610 $aprotein-ligand binding 610 $aproton transport 610 $arhodopsins 610 $asampling 610 $aSARS-CoV-2 610 $aself-assembly 610 $asemi-flexible polymers 610 $aspectral properties of rhodopsins 610 $aspectral tuning in rhodopsins 610 $astrong-field ionization 610 $asurfactant molecules 610 $athree-dimensional reference interaction site model 610 $atime-dependent Schro?dinger equation 610 $atime-dependent unitary transformation method 610 $atoll-like receptor 610 $awater transport 610 $a?-ketoamide 615 7$aTechnology: general issues 702 $aBoro?wko$b Ma?gorzata 906 $aBOOK 912 $a9910557587203321 996 $aAdvances in Molecular Simulation$93023601 997 $aUNINA