Suggested Topics within your search.
- molekyylidynamiikka 35
- molecular dynamics 21
- simulointi 13
- kulta 7
- ligandit 6
- density functional theory 5
- lääkesuunnittelu 5
- proteiinit 5
- tiheysfunktionaaliteoria 5
- 4021 4
- Fysiikka 4
- Physics 4
- TCPTP 4
- binding free energy 4
- filamiinit 4
- filamin 4
- klusterit 4
- laskennalliset menetelmät 4
- nanohiukkaset 4
- rakenne (ominaisuudet) 4
- spektroskopia 4
- 4032 3
- Fysikaalinen kemia 3
- Physical Chemistry 3
- gold nanocluster 3
- voimakentät (kemia) 3
- vuorovaikutus 3
- 2DIR-spektroskopia 2
- 4013 2
- CFTR 2
-
21
Elucidating the ligand shell structure and dynamics of Au683MBA32 gold nanocluster using molecular dynamics simulations
Published 2017Subjects: Get full text Get full textMaster's thesis -
22
Computational studies of catalytic active site properties and reactions at the metal–oxide interface
Published 2022Subjects: Linkki verkkoaineistoon
Doctoral dissertation -
23
Exploring the chemistry of syngas on a m-ZrO2 surface with computational methods
Published 2023Subjects: Get full text Get full textMaster's thesis -
24
Rational drug discovery : structural studies of protein-ligand complexes
Published 2011Subjects: JYX-julkaisuarkisto / JYX Digital Archive
Doctoral dissertation -
25
Virtual screening : development of a novel structure-based method
Published 2013Subjects: JYX-julkaisuarkisto / JYX Digital Archive
Doctoral dissertation -
26
Virtual screening : development of a novel structure-based method
Published 2013Subjects: Yhteenveto-osa
Doctoral dissertation -
27
Analyzing protein-nanocluster interactions with graph-based machine learning for molecular dynamics
Published 2024Subjects: Get full text Get full textMaster's thesis -
28
SMD simulation of talin and integrin interaction : role of membrane proximal and distal integrin segments in talin binding
Published 2022Subjects: Get full text Get full textMaster's thesis -
29
Electronic and optical properties of gold clusters with carbene ligands using density functional theory calculations
Published 2023Subjects: Linkki verkkoaineistoon
Linkki verkkoaineistoon
Doctoral dissertation -
30
Density functional/molecular dynamics simulations of phase-change materials
Published 2013Subjects: JYX julkaisuarkisto / JYX Digital Archive
Doctoral dissertation -
31
Density functional/molecular dynamics simulations of phase-change materials
Published 2013Subjects: Yhteenveto-osa
Doctoral dissertation -
32
Effect of ligand-binding on protein function
Published 2014Subjects: JYX-julkaisuarkisto / JYX Digital Archive
JYX-julkaisuarkisto / JYX Digital Archive
Doctoral dissertation -
33
Effect of ligand-binding on protein function
Published 2014Subjects: Yhteenveto-osa
Doctoral dissertation -
34
Studying the Physical State of Phages Using Dynamic Light Scattering (DLS)
Published 2024Subjects: Get full text Get full textMaster's thesis -
35
Rational drug discovery : structural studies of protein-ligand complexes
Published 2011Subjects:Doctoral dissertation