SwePub
Sök i SwePub databas

  Utökad sökning

Träfflista för sökning "WFRF:(Kovalevsky J.) "

Sökning: WFRF:(Kovalevsky J.)

  • Resultat 1-3 av 3
Sortera/gruppera träfflistan
   
NumreringReferensOmslagsbildHitta
1.
  • Kovalevsky, Andrey, et al. (författare)
  • "To Be or Not to Be" Protonated : Atomic Details of Human Carbonic Anhydrase-Clinical Drug Complexes by Neutron Crystallography and Simulation
  • 2018
  • Ingår i: Structure. - : Elsevier BV. - 0969-2126. ; 26:3, s. 3-390
  • Tidskriftsartikel (refereegranskat)abstract
    • Human carbonic anhydrases (hCAs) play various roles in cells, and have been drug targets for decades. Sequence similarities of hCA isoforms necessitate designing specific inhibitors, which requires detailed structural information for hCA-inhibitor complexes. We present room temperature neutron structures of hCA II in complex with three clinical drugs that provide in-depth analysis of drug binding, including protonation states of the inhibitors, hydration water structure, and direct visualization of hydrogen-bonding networks in the enzyme's active site. All sulfonamide inhibitors studied bind to the Zn metal center in the deprotonated, anionic, form. Other chemical groups of the drugs can remain neutral or be protonated when bound to hCA II. MD simulations have shown that flexible functional groups of the inhibitors may alter their conformations at room temperature and occupy different sub-sites. This study offers insights into the design of specific drugs to target cancer-related hCA isoform IX. Kovalevsky et al. used macromolecular neutron crystallography and molecular dynamics simulations to obtain a detailed picture of clinical inhibitors binding to human carbonic anhydrase II. The study visualized hydrogen atom positions, revealing protonation/deprotonation events and intricate hydrogen-bonding networks, providing insights for drug design.
  •  
2.
  • Perryman, M.A.P., et al. (författare)
  • The Hipparcos Catalogue
  • 2009
  • Ingår i: Astronomy & Astrophysics. ; 500, s. 501-504
  • Tidskriftsartikel (refereegranskat)
  •  
3.
  • Radulov, I. A., et al. (författare)
  • Production of net-shape Mn-Al permanent magnets by electron beam melting
  • 2019
  • Ingår i: Additive Manufacturing. - : Elsevier BV. - 2214-8604 .- 2214-7810. ; 30
  • Tidskriftsartikel (refereegranskat)abstract
    • The main goal of this work is the adoption of additive manufacturing for the production of inexpensive rare-earth free MnAl-based permanent magnets. The use of more advanced binder-free additive manufacturing technique such as Electron Beam Melting (EBM) allows obtaining fully-dense magnetic materials with advanced topology and complex shapes. We focus on the feasibility of controlling the phase formation in additively manufactured Mn-Al alloys by employing post-manufacturing heat treatment. The as-manufactured EBM samples contain 8% of the desired ferromagnetic τ-MnAl phase. After the optimized annealing treatment, the content of the τ-phase was increased to 90%. This sample has a coercivity value of 0.15 T, which is also the maximum achieved in conventionally produced binary MnAl magnets. Moreover, the EBM samples are fully dense and have the same density as the samples produced by conventional melting density. 
  •  
Skapa referenser, mejla, bekava och länka
  • Resultat 1-3 av 3

Kungliga biblioteket hanterar dina personuppgifter i enlighet med EU:s dataskyddsförordning (2018), GDPR. Läs mer om hur det funkar här.
Så här hanterar KB dina uppgifter vid användning av denna tjänst.

 
pil uppåt Stäng

Kopiera och spara länken för att återkomma till aktuell vy