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Academic Journal

MDSPACE: Extracting continuous conformational landscapes from cryo-EM single particle datasets using 3D-to-2D flexible fitting based on Molecular Dynamics simulation

Subjects: Cryo electron microscopy (cryo-EM); molecular dynamics simulation (MD simulation); continuous conformational variability

  • Source: ISSN: 0022-2836.

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Academic Journal

In silico prediction, characterization, docking studies and molecular dynamics simulation of human p97 in complex with p37 cofactor

Subjects: p97; p37; Homology modelling

  • Source: ISSN: 2661-8850 ; BMC Molecular and Cell Biology ; https://hal.science/hal-03775673 ; BMC Molecular and Cell Biology, 2022, 23, pp.39.

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Academic Journal

Insights into the role of glycerophospholipids on the iron export function of SLC40A1 and the molecular mechanisms of ferroportin disease

Subjects: CHOL; cholesterol Cryo-EM; Cryogenic Electron Microscopy FD

  • Source: ISSN: 0892-6638.

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Dissertation/ Thesis

Molecular dynamics simulation based image analysis methods for structural studies of biological macromolecular complexesolecular complexes ; Méthodes de traitement d'images basées sur la simulation de la dynamique moléculaire pour l'étude de la structure des complexes macromoléculaires biologiques

Subjects: Image processing; Cryo electron microscopy; Molecular dynamics

  • Source: https://theses.hal.science/tel-04536003 ; Image Processing [eess.IV]. Sorbonne Université, 2023. English. ⟨NNT : 2023SORUS328⟩.

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Academic Journal

Time-dependent density functional theory molecular dynamics simulation of doubly charged uracil in gas phase

Subjects: uracil; proton collision; nonadiabatic dynamics

  • Source: ISSN: 2391-5471 ; Open Physics ; https://hal.science/hal-00982119 ; Open Physics, 2014, 12 (2), pp.97-102. ⟨10.2478/s11534-014-0428-0⟩.

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Academic Journal

MDTOMO method for continuous conformational variability analysis in cryo electron subtomograms based on molecular dynamics simulations

Subjects: cryogenic electron tomography (cryo-ET); molecular dynamics simulation (MD simulation); continuous conformational variability

  • Source: ISSN: 2045-2322.

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Academic Journal

NMMD: Efficient cryo-EM flexible fitting based on simultaneous Normal Mode and Molecular Dynamics atomic displacements

Subjects: Molecular modeling; cryo electron microscopy (cryo-EM); flexible fitting

  • Source: ISSN: 0022-2836.

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Dissertation/ Thesis

Description of the conformational space of cyclic peptides from RGD family thanks to a robotics inspired approach and to molecular dynamics simulation ; Description de l'espace conformationnel de peptides cycliques de la famille RGD par une approche inspirée de la robotique et par des simulations de dynamique moléculaire

Subjects: Cycli peptides; Robotics; Replica exchange molecular dynamics

  • Source: https://theses.hal.science/tel-02886210 ; Chimie théorique et/ou physique. Sorbonne Université, 2018. Français. ⟨NNT : 2018SORUS201⟩.

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Academic Journal

Release dynamics of nanodiamonds created by laser-driven shock-compression of polyethylene terephthalate

Subjects: [PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci]

  • Source: ISSN: 2045-2322.

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Academic Journal

Critical comparison of general-purpose collective variables for crystal nucleation

Subjects: [PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci]

  • Source: ISSN: 2470-0045.

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  • 1-10 of  13 results for ""Molecular Dynamics Simulation""