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Wyniki wyszukiwania dla: 2D molecular descriptors
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MOLECULAR MEMBRANE BIOLOGY
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JOURNAL OF MOLECULAR NEUROSCIENCE
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JOURNAL OF MOLECULAR DIAGNOSTICS
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MOLECULAR GENETICS AND METABOLISM
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MOLECULAR PLANT PATHOLOGY
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PLANT MOLECULAR BIOLOGY
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MOLECULAR REPRODUCTION AND DEVELOPMENT
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MOLECULAR & CELLULAR PROTEOMICS
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MOLECULAR CANCER RESEARCH
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Molecular Systems Biology
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Medical Molecular Morphology
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Molecular Diagnosis & Therapy
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MOLECULAR PHYLOGENETICS AND EVOLUTION
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JOURNAL OF MOLECULAR SPECTROSCOPY
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Molecular & Cellular Toxicology
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JOURNAL OF MOLECULAR EVOLUTION
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MOLECULAR IMAGING AND BIOLOGY
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JOURNAL OF MOLECULAR BIOLOGY
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JOURNAL OF MOLECULAR MODELING
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MOLECULAR AND CELLULAR BIOLOGY
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JOURNAL OF MOLECULAR LIQUIDS
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Molecular and Integrative Toxicology
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MOLECULAR ASPECTS OF MEDICINE
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MOLECULAR HUMAN REPRODUCTION
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JOURNAL OF MOLECULAR HISTOLOGY
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Molecular Medicine Reports
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MOLECULAR BIOLOGY OF THE CELL
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MOLECULAR GENETICS AND GENOMICS
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MOLECULAR CANCER THERAPEUTICS
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MOLECULAR AND BIOCHEMICAL PARASITOLOGY
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TRENDS IN MOLECULAR MEDICINE
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No relationship between the digit ratios (2D:4D) and salivary testosterone change: Study on men under an acute exercise
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H-2D products do not affect lysis of Kk target cells by Kk-specific cytotoxic T cells
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Ultrafast self-expanded reduced graphene oxide and 2D MoS2 based films as anode in Li-ion battery
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Crystal Growth, Structure, and Magnetism of the 2D Spin 1/2 Triangular Lattice Material Rb3Yb(PO4)2
PublikacjaThe single-crystal growth, crystal structure, heat capacity, and anisotropic magnetization characterization of Rb3Yb- (PO4)2, a Yb-based triangular lattice material, are presented. Single-crystal X-ray diffraction shows that Rb3Yb(PO4)2 exhibits [Yb(PO4)]∞ layers, with the Yb in an ordered plane of equilateral triangles. One phosphate group oxygen that is not a near neighbor of the magnetic Yb displays positional disorder. The...
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Virulence, antifungal susceptibility and molecular mechanisms of echinocandin resistance among Candida isolates recovered from clinical specimens
PublikacjaFungi of the genus Candida belong to the natural microflora of healthy individuals. However, they can also be a cause of opportunistic infections especially among patients with an impaired immune system. The first line therapy of Candida infections is based on triazoles. However, in recent years there an increase of azole resistant Candida spp., in particular C. glabrata and C. krusei, has been observed. For this reason, echinocandin...
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Molecular basis of the low activity of antitumor anthracenediones, mitoxantrone and ametantrone, in oxygen radical generation catalyzed by NADH dehydrogenase. Enzymatic and molecular modelling studies
PublikacjaSyntetyczne antracenodionowe leki przeciwnowotworowe, w przeciwieństwie do antybiotyków antracyklinowych, charakteryzują się słabym wytwarzaniem wolnych rodników w układach z dehydrogenazą NADH. Wyniki prezentowane w artykule wskazują, że ani potencjał redukcyjny, ani konformacja łańcuchów bocznych, ani energie orbitali granicznych (LUMO i HOMO) nie determinują zdolności antracenedionów do stymulacji wytwarzania reaktywnych form...
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Molecular dynamics study of 4-OH-phenylacetyl- D -Y(Me)FQNRPR-NH 2 selectivity to V1a receptor
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Graph Neural Networks and Structural Information on Ionic Liquids: A Cheminformatics Study on Molecular Physicochemical Property Prediction
PublikacjaIonic liquids (ILs) provide a promising solution in many industrial applications, such as solvents, absorbents, electrolytes, catalysts, lubricants, and many others. However, due to the enormous variety of their structures, uncovering or designing those with optimal attributes requires expensive and exhaustive simulations and experiments. For these reasons, searching for an efficient theoretical tool for finding the relationship...
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Electron-Induced Decomposition of Uracil-5-yl O-(N,N-dimethylsulfamate): Role of Methylation in Molecular Stability
PublikacjaThe incorporation of modified uracil derivatives into DNA leads to the formation of radical species that induce DNA damage. Molecules of this class have been suggested as radiosensitizers and are still under investigation. In this study, we present the results of dissociative electron attachment to uracil-5-yl O-(N,N-dimethylsulfamate) in the gas phase. We observed the formation of 10 fragment anions in the studied range of electron...
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Understanding ion–ion and ion–solvent interactions in aqueous solutions of morpholinium ionic liquids with N-acetyl-L-alaninate anion through partial molar properties and molecular dynamics simulations
PublikacjaAmino acid ionic liquids (AAILs) provide a low toxicity, biodegradable alternative to conventional ionic liquids, while also maintaining solubility in water. Densities and sound velocities of aqueous solutions of four amino acid ionic liquids (AAILs), based on the N-alkyl-N-methylmorpholinium ([Mor1,R], R = 2, 3, 6, 8) cation and N-acetyl-L-alaninate ([N-Ac-L-Ala]) anion were measured at T = (293.15–313.15) K and at atmospheric...
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Novel 1,2,3-Triazole Derivatives as Mimics of Steroidal System—Synthesis, Crystal Structures Determination, Hirshfeld Surfaces Analysis and Molecular Docking
PublikacjaHerein, we present the synthesis and crystal structures determination of five 4-(1-phenyl-1H-1,2,3-triazol-4-yl)phenol derivatives containing halogen atoms, 6a–e, which may be used as an excellent mimic of steroids in the drug development process. Good quality crystals obtained for all of the synthesized compounds allowed the analysis of their molecular structures. Subsequently, the determined crystal structures were used to calculate...
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Digit ratio (2D:4D) does not correlate with daily 17β‐estradiol and progesterone concentrations in healthy women of reproductive age
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Molecular Dynamics of a Vasopressin V2 Receptor in a Phospholipid Bilayer Membrane
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Functionalized polypyrroles. New molecular materials for electrocatalysis and related applications
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Raman spectroscopy analysis of molecular configuration forms of the macular xanthophylls
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Porphyrazines as Molecular Scaffolds: Flexible Syntheses of Novel Multimetallic Complexes
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Molecular Modeling of Interaction of the Vasopressin Analogs with Vasopressin and Oxytocin Receptors
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