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Search results for: 2D molecular descriptors
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MICROBIOLOGY AND MOLECULAR BIOLOGY REVIEWS
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Journal of Micromechanics and Molecular Physics
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BMC Molecular and Cell Biology
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JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL
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JOURNAL OF MOLECULAR GRAPHICS & MODELLING
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APPLIED IMMUNOHISTOCHEMISTRY & MOLECULAR MORPHOLOGY
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PLANT MOLECULAR BIOLOGY REPORTER
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JOURNAL OF BIOCHEMICAL AND MOLECULAR TOXICOLOGY
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PHYSIOLOGICAL AND MOLECULAR PLANT PATHOLOGY
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Journal of Molecular Cell Biology
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Molecular Genetics Microbiology and Virology
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Journal of Cellular and Molecular Anesthesia
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INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
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PROGRESS IN BIOPHYSICS & MOLECULAR BIOLOGY
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JOURNAL OF MOLECULAR AND CELLULAR CARDIOLOGY
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JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
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MOLECULAR CRYSTALS AND LIQUID CRYSTALS
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Progress in Microbes and Molecular Biology
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MOLECULAR PLANT-MICROBE INTERACTIONS
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MOLECULAR NUTRITION & FOOD RESEARCH
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JOURNAL OF MOLECULAR MICROBIOLOGY AND BIOTECHNOLOGY
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Piotr Jamroz dr hab. inż.
PeoplePiotr Jamroz graduated from Wroclaw University of Technology, Faculty of Chemistry in 1998 and obtained his PhD from the same university in 2003. Currently he works as an associate professor at Wroclaw University of Science and Technology, Faculty of Chemistry, Division of Analytical Chemistry and Chemical Metallurgy. His research interests are related to generation and diagnostics of different kinds of plasma sources, including...
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Non-volatile molecular composition and discrimination of single grape white of chardonnay, riesling, sauvignon blanc and silvaner using untargeted GC–MS analysis
PublicationThis study developed and applied a GC–MS method aiming at molecular fingerprinting of 120 commercial single grape white wines (Chardonnay, Riesling, Sauvignon Blanc and Silvaner) for possible authentication according to grape variety. The method allowed detection of 372 peaks and tentative identification of 146 metabolites including alcohols, organic acids, esters, amino acids and sugars. The grape variety effect explained 8.3%...
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Molecular Informatics
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MOLECULAR BIOTECHNOLOGY
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Molecular Cancer
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MOLECULAR DIVERSITY
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MOLECULAR NEUROBIOLOGY
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Geometry optimization of steroid sulfatase inhibitors - the influence on the free binding energy with STS
PublicationIn the paper we review the application of two techniques (molecular mechanics and quantum mechanics) to study the influence of geometry optimization of the steroid sulfatase inhibitors on the values of descriptors coded their chemical structure and their free binding energy with the STS protein. We selected 22 STS-inhibitors and compared their structures optimized with MM+, PM7 and DFT B3LYP/6–31++G* approaches considering separately...
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Non-Typical Fluorescence Effects and Biological Activity in Selected 1,3,4-thiadiazole Derivatives: Spectroscopic and Theoretical Studies on Substituent, Molecular Aggregation, and pH Effects
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Molecular basis of essentiality of early critical steps in the lipopolysaccharide biogenesis in Escherichia coli K-12: requirement of MsbA, cardiolipin, LpxL, LpxM and GcvB
PublicationTo identify the physiological factors that limit the growth of Escherichia coli K-12 strains synthesizing minimal lipopolysaccharide (LPS), we describe the first construction of strains devoid of the entire waa locus and concomitantly lacking all three acyltransferases (LpxL/LpxM/LpxP), synthesizing minimal lipid IVA derivatives with a restricted ability to grow at around 21 °C. Suppressors restoring growth up to 37 °C of Δ(gmhD-waaA)...
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Targeting Spike‐ACE2 Interface of SARS‐CoV‐2 and its Omicron Variant: A Comparative Screening of Potential Inhibitors for Existing and Anticipating Variants Using Molecular Modelling Approach
PublicationThe recent COVID pandemic has shown major impact on public health and economic crisis. Despite the development of many vaccines and drugs against the severe acute respiratory syndrome (SARS) coronavirus 2, the pandemic still persists. The continued spread of the virus is largely driven by the emergence of viral variants such as α, β, γ, delta, epsilon spike, omicron and its subvariants (BA.1,2,3) which can evade the current vaccines...
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Molecular Characterization of Growth Hormone-producing Tumors in the GC Rat Model of Acromegaly
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Anticancer properties of low molecular weight oat beta-glucan – An in vitro study
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Molecular taxonomy of scopulariopsis-like fungi with description of new clinical and environmental species
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Molecular Mechanisms Associated with ROS-Dependent Angiogenesis in Lower Extremity Artery Disease
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Selected molecular and physiological aspects of mammalian ovarian granulosa cells in primary culture
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Human Granulosa Cells—Stemness Properties, Molecular Cross-Talk and Follicular Angiogenesis
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Dependence of the heterosis effect on genetic distance, determined using various molecular markers
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Synthesis, biological activity and molecular modelling studies of tricyclic alkylimidazo-, pyrimido- and diazepinopurinediones
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Fluorescent Molecular Cages with Sucrose and Cyclotriveratrylene Units for the Selective Recognition of Choline and Acetylcholine
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Identification and molecular modeling of a novel lipase from an Antarctic soil metagenomic library.
PublicationIn this work, we present the construction of a metagenomic library in Escherichia coli using pUC19 vector and environmental DNA directly isolated from Antarctic topsoil and screened for lipolytic enzymes. The screening on agar supplemented with olive oil and rhodamine B revealed one clone with lipolytic activity (Lip1) out of 11,000 E. coli clones. This clone harbored a plasmid, pLip1, which has an insert of 4722 bp that has been...
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Molecular Dynamics of Complexes of Atosiban with Neurohypophyseal Receptors in the Fully Hydrated Phospholipid Bilayer
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Free Energies of the Disassembly of Viral Capsids from a Multiscale Molecular Simulation Approach
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Nanomechanical Stability of Aβ Tetramers and Fibril-like Structures: Molecular Dynamics Simulations
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Shape resonance of H[sub 2][sup −] anion stabilized in a molecular trap
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Molecular insights into receptor binding energetics and neutralization of SARS-CoV-2 variants
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Superconducting state in the atomic metallic hydrogen just above the pressure of the molecular dissociation
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Molecular dynamics insights into protein‐glycosaminoglycan systems from microsecond‐scale simulations
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Role of Glycosaminoglycans in Procathepsin B Maturation: Molecular Mechanism Elucidated by a Computational Study
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