Molecular Simulation

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271 to 280 of 578 Results

298_trofy_05_ben_40.top Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica' Unknown - 2.6 KB - MD5: a96c060cb93580ac001aa7414af8f9f2 Main topology file of the simulation box of the pore with 5 beta-CD molecules attached to the surface using a Trofymchuk linker with 40 Benzene molecules in water simulated at 298 K in .top format.
298_trofy_05_ben_60.gro Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica' Unknown - 4.4 MB - MD5: 8169f96a9dcd2518ee30a6f976c93b09 Cartesian coordinates of the simulation box of the pore with 5 beta-CD molecules attached to the surface using a Trofymchuk linker with 60 Benzene molecules in water simulated at 298 K in .gro format.
298_trofy_05_ben_60.ndx Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica' Unknown - 1.3 MB - MD5: de925bd431c0b17452490e70514126e4 Index file of the simulation box of the pore with 5 beta-CD molecules attached to the surface using a Trofymchuk linker with 60 Benzene molecules in water simulated at 298 K in .ndx format.
298_trofy_05_ben_60.top Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica' Unknown - 2.6 KB - MD5: a3846a885600a29690f304d6d9073093 Main topology file of the simulation box of the pore with 5 beta-CD molecules attached to the surface using a Trofymchuk linker with 60 Benzene molecules in water simulated at 298 K in .top format.
298_trofy_11_ben_05.gro Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica' Unknown - 4.4 MB - MD5: d9c475c68d8ed192692a9941af2af1c7 Cartesian coordinates of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Trofymchuk linker with 5 Benzene molecules in water simulated at 298 K in .gro format.
298_trofy_11_ben_05.ndx Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica' Unknown - 1.3 MB - MD5: ce19cc5a4b773fc4089b400bb73c8543 Index file of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Trofymchuk linker with 5 Benzene molecules in water simulated at 298 K in .ndx format.
298_trofy_11_ben_05.top Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica' Unknown - 2.6 KB - MD5: 3df1fecfed1930c02cf156183964cd8a Main topology file of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Trofymchuk linker with 5 Benzene molecules in water simulated at 298 K in .top format.
298_trofy_11_ben_10.gro Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica' Unknown - 4.4 MB - MD5: 529ad693e1644be28a65851c5005c7fd Cartesian coordinates of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Trofymchuk linker with 10 Benzene molecules in water simulated at 298 K in .gro format.
298_trofy_11_ben_10.ndx Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica' Unknown - 1.3 MB - MD5: 5f787eccdf4ff576a884dcf2c0fde1ff Index file of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Trofymchuk linker with 10 Benzene molecules in water simulated at 298 K in .ndx format.
298_trofy_11_ben_10.top Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica' Unknown - 2.6 KB - MD5: ed1c003223ccf8402a6eafcee37b7b93 Main topology file of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Trofymchuk linker with 10 Benzene molecules in water simulated at 298 K in .top format.

298_trofy_05_ben_40.top

Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica'

Unknown - 2.6 KB -

Main topology file of the simulation box of the pore with 5 beta-CD molecules attached to the surface using a Trofymchuk linker with 40 Benzene molecules in water simulated at 298 K in .top format.

298_trofy_05_ben_60.gro

Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica'

Unknown - 4.4 MB -

Cartesian coordinates of the simulation box of the pore with 5 beta-CD molecules attached to the surface using a Trofymchuk linker with 60 Benzene molecules in water simulated at 298 K in .gro format.

298_trofy_05_ben_60.ndx

Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica'

Unknown - 1.3 MB -

Index file of the simulation box of the pore with 5 beta-CD molecules attached to the surface using a Trofymchuk linker with 60 Benzene molecules in water simulated at 298 K in .ndx format.

298_trofy_05_ben_60.top

Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica'

Unknown - 2.6 KB -

Main topology file of the simulation box of the pore with 5 beta-CD molecules attached to the surface using a Trofymchuk linker with 60 Benzene molecules in water simulated at 298 K in .top format.

298_trofy_11_ben_05.gro

Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica'

Unknown - 4.4 MB -

Cartesian coordinates of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Trofymchuk linker with 5 Benzene molecules in water simulated at 298 K in .gro format.

298_trofy_11_ben_05.ndx

Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica'

Unknown - 1.3 MB -

Index file of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Trofymchuk linker with 5 Benzene molecules in water simulated at 298 K in .ndx format.

298_trofy_11_ben_05.top

Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica'

Unknown - 2.6 KB -

Main topology file of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Trofymchuk linker with 5 Benzene molecules in water simulated at 298 K in .top format.

298_trofy_11_ben_10.gro

Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica'

Unknown - 4.4 MB -

Cartesian coordinates of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Trofymchuk linker with 10 Benzene molecules in water simulated at 298 K in .gro format.

298_trofy_11_ben_10.ndx

Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica'

Unknown - 1.3 MB -

Index file of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Trofymchuk linker with 10 Benzene molecules in water simulated at 298 K in .ndx format.

298_trofy_11_ben_10.top

Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica'

Unknown - 2.6 KB -

Main topology file of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Trofymchuk linker with 10 Benzene molecules in water simulated at 298 K in .top format.

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