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  • 1-7 ل  7 نتائج ل ""molecular dynamics simulation""

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Collection : Universite Paris Seine
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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

Differential activity and selectivity of N‐terminal modified CXCL12 chemokines at the CXCR4 and ACKR3 receptors

Subjects: ACKR3; CXCR4; CXCL12

  • Source: ISSN: 0741-5400 ; Journal of Leukocyte Biology ; https://pasteur.hal.science/pasteur-03260272 ; Journal of Leukocyte Biology, 2020, 107 (6), pp.1123 - 1135. ⟨10.1002/jlb.2ma0320-383rr⟩.

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Academic Journal

First and second deprotonation of H 2 SO 4 on wet hydroxylated (0001) α-quartz

Subjects: Hydroxylation; Molecular Dynamics Simulation; molecular dynamics

  • Source: ISSN: 1463-9076.

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Academic Journal

Diffusive hydrodynamics of inhomogenous Hamiltonians

Subjects: integrability; hydrodynamics; thermalisation

  • Source: ISSN: 1089-5639.

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Academic Journal

Mambalgin-1 pain-relieving peptide locks the hinge between α4 and α5 helices to inhibit rat Acid-Sensing Ion Channel 1a

Subjects: Acid-sensing ion channel; Sodium channel; Pain

  • Source: ISSN: 0028-3908.

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Academic Journal

Supramolecular Organization of Polymer Prodrug Nanoparticles Revealed by Coarse-Grained Simulations

Subjects: [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry; [CHIM.POLY]Chemical Sciences/Polymers

  • Source: ISSN: 0002-7863.

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Dissertation/ Thesis

Reactivity at aqueous interfaces by DFT-MD simulations ; Réactivités aux interfaces aqueuses par simulations DFT-MD

Subjects: Prebiotic chemistry; Chimie prebiotique; [CHIM.ORGA]Chemical Sciences/Organic chemistry

  • Source: https://theses.hal.science/tel-03283670 ; Organic chemistry. Université Paris-Saclay, 2020. English. ⟨NNT : 2020UPASF025⟩.

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  • 1-7 ل  7 نتائج ل ""molecular dynamics simulation""