Results 51 to 60 of about 114,432 (116)

How Hydration Weakens Collagen: A Mesoscale Energy Decomposition of Type I and Type II Fibrils. [PDF]

Comput Struct Biotechnol J
Gouissem A, Adouni M.
europepmc   +1 more source

Computational Characterization of Nabilone-Induced Disruption of the CB2-HER2 Receptor Complex in HER2+ Breast Cancer. [PDF]

Bioinform Biol Insights
Hanane A, Razana Z, Zainab G, Rihab F, Mohammed Walid CE, Mohammed H, Rachid EJ.   +6 more
europepmc   +1 more source

Multimerization interactions between protein-inspired single-chain random heteropolymers. [PDF]

PLoS One
Hilburg SL, Jin T, Ganesh P, Alexander-Katz A.   +3 more
europepmc   +1 more source

Formulation Optimization, Multi-Component Compounding Mechanisms, and Regeneration Insights of a Waste Vegetable Oil-Based Bitumen Regenerant. [PDF]

Materials (Basel)
Zhao T, Zhang Z, Lu C, Lu W, Liu Z, Zhu S.   +5 more
europepmc   +1 more source

Intermolecular Interactions of Linear Alkane (<i>N</i> ≤ 18) Dimers: A High Accuracy Theoretical Study. [PDF]

ACS Omega
Wang C, Huang W, Pu L, Zhang Z, King RB.
europepmc   +1 more source

Designing Antiferromagnetic Spin-1/2 Chains in Janus Fullerene Nanoribbons. [PDF]

Nano Lett
Peng B, Pizzochero M.
europepmc   +1 more source

Mixed Monolayer Characteristics of Tangeretin with Stearic Acid and Dipalmitoyl Phosphatidyl Choline at the Air/Water Interface. [PDF]

Molecules
Zhou Y, Wang W, Jia T, Zhang Y, Wang N, Xu B.   +5 more
europepmc   +1 more source

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Intermolecular interactions in cyanodimethylarsine and cyanodimethylstibine

Acta Crystallographica Section C Crystal Structure Communications, 2002
Cyanodimethylarsine, [As(CH(3))(2)(CN)], and cyanodimethylstibine, [Sb(CH(3))(2)(CN)], have closely related, but not isomorphous, crystal structures containing XCN.XCN. chains. The N. As distance of 3.185 (3) A is slightly shorter than the expected van der Waals distance of 3.5 A, while the N.Sb distance of 2.862 (9) A, compared with the expected value
Doyle, Britton, Victor G, Young, Elmer O, Schlemper   +2 more
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Intermolecular Interaction in Water Hexamer

The Journal of Physical Chemistry A, 2010
The origin of the intermolecular interaction, especially the many-body interaction, in eight low-lying water hexamer structures (prism, cage, book-1, book-2, cyclic-chair, bag, cyclic-boat-1, and cyclic-boat-2) is unraveled using the localized molecular orbital energy decomposition analysis (LMO-EDA) method at the second-order Møller-Plesset ...
Yiming, Chen, Hui, Li
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Intermolecular interactions of urea and water

Journal de Chimie Physique, 1991
Adopting the NEMO approach we have developed a urea-water potential suitable for molecular simulations. Method refinements are presented, with emphasis on the repulsion part. Our minimum energy geometry is similar to that of the semi- empirical potential of Kuharski and Rossky, but our complex is about 4 kcal/mol more stable.
P. O. Astrand, A. Wallqvist, G. Karlstrom   +2 more
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