Ushbu ishga iqtibos qilgan ishlar

8 ta ish

Ish: GROMACS: A message-passing parallel molecular dynamics implementation

1. Water-separated ion pairs cause the slow dielectric mode of magnesium sulfate solutions

   Shavkat Mamatkulov, Klaus F. Rinne, Richard Buchner +2

   MaqolaSpectroscopy and Quantum Chemical StudiesThe Journal of Chemical Physics20181 iqtibos

   ABIABI:AkademIndex/openalex/2018.article.000052

2. Short-Range Cooperative Slow-down of Water Solvation Dynamics Around SO₄^2––Mg²⁺Ion Pairs

   Achintya Kundu, Shavkat Mamatkulov, Florian N. Brünig +4

   MaqolaSpectroscopy and Quantum Chemical StudiesACS Physical Chemistry Au20220 iqtibos

   ABIABI:AkademIndex/openalex/2022.article.000642

3. On the Automatic Optimization of Lipid Models in the Martini Force Field using SwarmCG

   Charly Empereur‐mot, Kasper B. Pedersen, Cristina Caruso +5

   PreprintLipid Membrane Structure and BehaviorChemRxiv20230 iqtibos

   ABIABI:AkademIndex/openalex/2023.preprint.000101

4. Integrating high-performance computing, machine learning, data management workflows, and infrastructures for multiscale simulations and nanomaterials technologies

   Fabio Le Piane, Mario Vozza, Matteo Baldoni +1

   MaqolaMachine Learning in Materials ScienceBeilstein Journal of Nanotechnology20240 iqtibos

   ABIABI:AkademIndex/openalex/2024.article.000271

5. Unveiling the Borohydride Ion through Force-Field Development

   Shavkat Mamatkulov, Jakub Polák, Jamoliddin Razzokov +5

   MaqolaHydrogen Storage and MaterialsJournal of Chemical Theory and Computation20240 iqtibos

   ABIABI:AkademIndex/openalex/2024.article.001527

6. Potential functional changes in native lysozyme induced by carbon nanotubes studied by molecular dynamics simulations

   S. Mehdi Vaez Allaei, Mehriar Amininasab, Hrachya Ishkhanyan +1

   MaqolaEnzyme Structure and FunctionScientific Reports20250 iqtibos

   ABIABI:AkademIndex/openalex/2025.article.001242

7. Molecular dynamics insights into the redox effects on PD-1/PD-L1 and PD-1/PD-L2 interactions

   Rasulbek Mashalov, Zulfizar Toshpulatova, Zhitong Chen +1

   MaqolaPlasma Applications and DiagnosticsScientific Reports20250 iqtibos

   ABIABI:AkademIndex/openalex/2025.article.008635

8. Enhancing Immune Cell Activation through Cold Atmospheric Plasma: Disruption of PD-1/PD-L1/PD-L2 Immune Checkpoints via Molecular Dynamics

   Mashalov Rasulbek, Zulfizar Toshpulatova, Zhitong Chen +1

   PreprintPlasma Applications and DiagnosticsbioRxiv (Cold Spring Harbor Laboratory)20250 iqtibos

   ABIABI:AkademIndex/openalex/2025.preprint.000051