E-LIB Suche - Ergebnisse für: Lyubartsev, Alexander P.

1

Biomolecular Adsorption on Nanomaterials: Combining Molecul..:

Saeedimasine, Marzieh ; Rahmani, Roja ; Lyubartsev, Alexander P.
Journal of Chemical Information and Modeling. 64 (2024) 9 - p. 3799-3811 , 2024

Link: https://doi.org/10.1021/..

2

Exploring Carbamazepine Polymorph Crystal Growth in Water b..:

Herboth, Radost ; Lyubartsev, Alexander P.
ACS Omega. , 2024

Link: https://doi.org/10.1021/..

3

Multiscale modeling reveals the ion-mediated phase separati..:

Sun, Tiedong ; Korolev, Nikolay ; Minhas, Vishal...
Biophysical Journal. 123 (2024) 11 - p. 1414-1434 , 2024

Link: https://doi.org/10.1016/..

4

Development of a bottom‐up coarse‐grained model for interac..:

Ivanov, Mikhail ; Lyubartsev, Alexander P.
Journal of Computational Chemistry. 45 (2024) 16 - p. 1364-1379 , 2024

Link: https://doi.org/10.1002/..

5

Coarse-Grained Modeling Using Neural Networks Trained on St..:

Ivanov, Mikhail ; Posysoev, Maksim ; Lyubartsev, Alexander P.
Journal of Chemical Theory and Computation. 19 (2023) 19 - p. 6704-6717 , 2023

Link: https://doi.org/10.1021/..

6

Neutron scattering study of polyamorphic THF·17(H2O) – towa..:

Brant Carvalho, Paulo H. B. ; Ivanov, Mikhail ; Andersson, Ove...
Physical Chemistry Chemical Physics. 25 (2023) 21 - p. 14981-14991 , 2023

Link: https://doi.org/10.1039/..

7

Ab Initio Derived Classical Force Field for Molecular Dynam..:

Saeedimasine, Marzieh ; Grote, Fredrik ; Lyubartsev, Alexander P.
The Journal of Physical Chemistry A. 127 (2023) 25 - p. 5446-5457 , 2023

Link: https://doi.org/10.1021/..

8

Biomolecular Adsorprion at ZnS Nanomaterials: A Molecular D..:

Rahmani, Roja ; Lyubartsev, Alexander P.
Nanomaterials. 13 (2023) 15 - p. 2239 , 2023

Link: https://doi.org/10.3390/..

9

A Bottom-Up Coarse-Grained Model for Nucleosome–Nucleosome ..:

Sun, Tiedong ; Minhas, Vishal ; Mirzoev, Alexander...
Journal of Chemical Theory and Computation. 18 (2022) 6 - p. 3948-3960 , 2022

Link: https://doi.org/10.1021/..

10

Water structure, dynamics and reactivity on a TiO2-nanopart..:

Grote, Fredrik ; Lyubartsev, Alexander P.
Nanoscale. 14 (2022) 44 - p. 16536-16547 , 2022

Link: https://doi.org/10.1039/..

11

Exploring High-Pressure Transformations in Low-Z (H2, Ne) H..:

Brant Carvalho, Paulo H. B. ; Mace, Amber ; Nangoi, Inna Martha...
Crystals. 12 (2021) 1 - p. 9 , 2021

Link: https://doi.org/10.3390/..

12

Pressure-induced amorphization of noble gas clathrate hydra..:

Brant Carvalho, Paulo H. B. ; Mace, Amber ; Andersson, Ove...
Physical Review B. 103 (2021) 6 - p. , 2021

Link: https://doi.org/10.1103/..

13

Bottom-Up Coarse-Grained Modeling of DNA:

Sun, Tiedong ; Minhas, Vishal ; Korolev, Nikolay...
Frontiers in Molecular Biosciences. 8 (2021) - p. , 2021

Link: https://doi.org/10.3389/..

14

First principles characterisation of bio–nano interface:

Rouse, Ian ; Power, David ; Brandt, Erik G....
Physical Chemistry Chemical Physics. 23 (2021) 24 - p. 13473-13482 , 2021

Link: https://doi.org/10.1039/..

15

Atomistic Molecular Dynamics Simulations of Lipids Near TiO..:

Ivanov, Mikhail ; Lyubartsev, Alexander P.
The Journal of Physical Chemistry B. 125 (2021) 29 - p. 8048-8059 , 2021

Link: https://doi.org/10.1021/..