검색결과 : 33건
| No. | Article |
|---|---|
| 1 |
Modeling DNA Flexibility: Comparison of Force Fields from Atomistic to Multiscale Levels Minhas V, Sun TD, Mirzoev A, Korolev N, Lyubartsev AP, Nordenskiold L Journal of Physical Chemistry B, 124(1), 38, 2020 |
| 2 |
Optimization of Slipids Force Field Parameters Describing Headgroups of Phospholipids Grote F, Lyubartsev AP Journal of Physical Chemistry B, 124(40), 8784, 2020 |
| 3 |
Molecular Dynamics Simulations of Furfural and 5-Hydroxymethylfurfural at Ambient and Hydrothermal Conditions Grote F, Ermilova I, Lyubartsev AP Journal of Physical Chemistry B, 122(35), 8416, 2018 |
| 4 |
Computationally based analysis of the energy efficiency of a CO2 capture process Vujic B, Lyubartsev AP Chemical Engineering Science, 174, 174, 2017 |
| 5 |
All-Atom MD Simulation of DNA Condensation Using Ab lnitio Derived Force Field Parameters of Cobalt(III)-Hexammine Sun TD, Mirzoev A, Korolev N, Lyubartsev AP, Nordenskiold L Journal of Physical Chemistry B, 121(33), 7761, 2017 |
| 6 |
Extension of the Slipids Force Field to Polyunsaturated Lipids Ermilova I, Lyubartsev AP Journal of Physical Chemistry B, 120(50), 12826, 2016 |
| 7 |
Update to the General Amber Force Field for Small Solutes with an Emphasis on Free Energies of Hydration Jambeck JPM, Lyubartsev AP Journal of Physical Chemistry B, 118(14), 3793, 2014 |
| 8 |
Derivation and Systematic Validation of a Refined All-Atom Force Field for Phosphatidylcholine Lipids Jambeck JPM, Lyubartsev AP Journal of Physical Chemistry B, 116(10), 3164, 2012 |
| 9 |
Molecular Dynamics Simulation Study of Glycerol-Water Liquid Mixtures Egorov AV, Lyubartsev AP, Laaksonen A Journal of Physical Chemistry B, 115(49), 14572, 2011 |
| 10 |
Molecular Dynamics Investigation of Dipeptide - Transition Metal Salts in Aqueous Solutions Santosh MS, Lyubartsev AP, Mirzoev AA, Bhat DK Journal of Physical Chemistry B, 114(49), 16632, 2010 |