Search results

• Run Input file for MD simulation after 1ns at 300K(15f-3.tpr)

  Nerukh, D. (Creator), Tarasova, E. (Contributor), Farafonov, V. (Contributor), Korotkin, I. (Contributor) & Karabasov, S. (Contributor), Aston Data Explorer, 24 Mar 2016

  DOI: 10.17036/b0629895-8312-4d04-8273-33a07f1db5d8, https://www.sciencedirect.com/science/article/abs/pii/S1877750316300333

  Dataset

• Two-phase flow analogy as an effective boundary condition for modelling liquids at atomistic resolution

  Nerukh, D. (Creator), Aston Data Explorer, 2016

  DOI: 10.17036/de4b474e-0497-4aa4-9676-439644b1eb48, https://www.sciencedirect.com/science/article/abs/pii/S1877750316300333?via%3Dihub

  Dataset

• Run Input file for MD simulation after 100ps at 200K (9f-3.tpr)

  Nerukh, D. (Creator), Tarasova, E. (Contributor), Farafonov, V. (Contributor), Korotkin, I. (Contributor) & Karabasov, S. (Contributor), Aston Data Explorer, 24 Mar 2016

  DOI: 10.17036/cfe11d20-c679-4952-8c95-ba2a7c87324d, https://www.sciencedirect.com/science/article/abs/pii/S1877750316300333

  Dataset

• Structure file of capsid after energy minimization (7f-3.gro )

  Nerukh, D. (Creator), Tarasova, E. (Contributor), Farafonov, V. (Contributor), Korotkin, I. (Contributor) & Karabasov, S. (Contributor), Aston Data Explorer, 24 Mar 2016

  DOI: 10.17036/593f88a1-14dd-46fe-b12c-1132ca000c6a, https://www.sciencedirect.com/science/article/abs/pii/S1877750316300333

  Dataset

• Run Input file for MD simulation after 100ps at 50K(8f-3.tpr)

  Nerukh, D. (Creator), Tarasova, E. (Contributor), Farafonov, V. (Contributor), Korotkin, I. (Contributor) & Karabasov, S. (Contributor), Aston Data Explorer, 24 Mar 2016

  DOI: 10.17036/e02121ff-ee27-4e27-8a56-c6e4f6bc5d15, https://www.sciencedirect.com/science/article/abs/pii/S1877750316300333

  Dataset

• Trajectory file of energy minimization of capsid(7f-3.trr)

  Nerukh, D. (Creator), Tarasova, E. (Contributor), Farafonov, V. (Contributor), Korotkin, I. (Contributor) & Karabasov, S. (Contributor), Aston Data Explorer, 24 Mar 2016

  DOI: 10.17036/7b124872-923f-4c29-ba1e-1c0525950ac1, https://www.sciencedirect.com/science/article/abs/pii/S1877750316300333

  Dataset

• Run Input file for energy minimization of capsid(7f-3.tpr)

  Nerukh, D. (Creator), Tarasova, E. (Contributor), Farafonov, V. (Contributor), Korotkin, I. (Contributor) & Karabasov, S. (Contributor), Aston Data Explorer, 24 Mar 2016

  DOI: 10.17036/103558b7-47b6-49c8-a033-a9d5182a24a9, https://www.sciencedirect.com/science/article/abs/pii/S1877750316300333

  Dataset

• Structure file of MD simulation after 100ps at 50K (8f-3.gro)

  Nerukh, D. (Creator), Tarasova, E. (Contributor), Farafonov, V. (Contributor), Korotkin, I. (Contributor) & Karabasov, S. (Contributor), Aston Data Explorer, 24 Mar 2016

  DOI: 10.17036/9e5fb962-900e-4115-8f62-202ef03ef990, https://www.sciencedirect.com/science/article/abs/pii/S1877750316300333

  Dataset

• Trajectory file of MD simulation after 100ps at 50K (8f-3_new.xtc)

  Nerukh, D. (Creator), Tarasova, E. (Contributor), Farafonov, V. (Contributor), Korotkin, I. (Contributor) & Karabasov, S. (Contributor), Aston Data Explorer, 24 Mar 2016

  DOI: 10.17036/ab478c65-147a-4434-ab36-2920706a5832, https://www.sciencedirect.com/science/article/abs/pii/S1877750316300333

  Dataset

• Structure file of MD simulation after 1ns at 300K (15f-3.gro)

  Nerukh, D. (Creator), Tarasova, E. (Contributor), Farafonov, V. (Contributor), Korotkin, I. (Contributor) & Karabasov, S. (Contributor), Aston Data Explorer, 24 Mar 2016

  DOI: 10.17036/71d9e87e-c6e6-4b82-8212-09d9d7daac7d, https://www.sciencedirect.com/science/article/abs/pii/S1877750316300333

  Dataset

• Complete virus capsid at all-atom resolution: simulations using Molecular Dynamics and hybrid Molecular Dynamics/hydrodynamics methods reveal semipermeable membrane function

  Tarasova, E. (Creator), Korotkin, I. (Creator), Farafonov, V. (Creator), Karabasov, S. (Creator) & Nerukh, D. (Creator), Aston Data Explorer, 22 Mar 2017

  DOI: 10.17036/researchdata.aston.ac.uk.00000213, https://www.sciencedirect.com/science/article/pii/S0167732217311431

  Dataset

• Trajectory file of MD simulation after 1ns at 300K (traj-comp1.xtc )

  Nerukh, D. (Creator), Tarasova, E. (Contributor), Farafonov, V. (Contributor), Korotkin, I. (Contributor) & Karabasov, S. (Contributor), Aston Data Explorer, 24 Mar 2016

  DOI: 10.17036/00344a11-788c-4106-bb78-aa7a39b2e0cc, https://www.sciencedirect.com/science/article/abs/pii/S1877750316300333

  Dataset

• All-atom simulation of PCV2 virus capsid using molecular dynamics in explicit water

  Nerukh, D. (Creator), Tarasova, E. (Creator), Farafonov, V. (Creator), Khayat, R. (Creator), Taiji, M. (Creator), Okimoto, N. (Creator) & Komatsu, T. (Creator), Aston Data Explorer, 23 Nov 2016

  DOI: 10.17036/6e8e1a26-aa8d-4cfc-aed1-551b081cd391, https://pubs.acs.org/doi/10.1021/acs.jpclett.6b02759

  Dataset

• Trajectory files of MD simulation after 100ps at 200K(9f-3_new.xtc)

  Nerukh, D. (Creator), Tarasova, E. (Contributor), Farafonov, V. (Contributor), Korotkin, I. (Contributor) & Karabasov, S. (Contributor), Aston Data Explorer, 24 Mar 2016

  DOI: 10.17036/f8ec06d2-0d4a-43ee-8c97-04148134e5d2, https://www.sciencedirect.com/science/article/abs/pii/S1877750316300333

  Dataset

• Structure file of MD simulation after 100ps at 200K (9f-3.gro)

  Nerukh, D. (Creator), Tarasova, E. (Contributor), Farafonov, V. (Contributor), Korotkin, I. (Contributor) & Karabasov, S. (Contributor), Aston Data Explorer, 24 Mar 2016

  DOI: 10.17036/d5ecf48b-67b9-413d-ab5d-6dd924f1b501, https://www.sciencedirect.com/science/article/abs/pii/S1877750316300333

  Dataset