Sökning: "solvent-accessible surface area"

Hittade 3 avhandlingar innehållade orden solvent-accessible surface area.

  1. 1. Applications of Structural Bioinformatics for the Structural Genomics Era

    Författare :Marian Novotny; Gerard Kleywegt; Geoff Barton; Uppsala universitet; []
    Nyckelord :Bioinformatics; structural bioinformatics; fold comparison; left-handed helix; docking; solvent-accessible surface area; register shift; X-ray crystallography; Bioinformatik;

    Sammanfattning : Structural bioinformatics deals with the analysis, classification and prediction of three-dimensional structures of biomacromolecules. It is becoming increasingly important as the number of structures is growing rapidly. LÄS MER

  3. 2. An add-on filter technique to improve micropollutant removal and water quality in on-site sewage treatment facilities

    Författare :Wen Zhang; Gunno Renman; Erik Kärrman; Carlos Alberto Arias; KTH; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Micropollutant; on-site sewage facilities; physicochemical properties; pore structure; sorbents; surface functional group; Mark- och vattenteknik; Land and Water Resources Engineering;

    Sammanfattning : Onsite sewage treatment facilities (OSSFs) in Sweden currently release significant amounts of nitrogen (N) and phosphorus (P) into groundwater or/and receiving water bodies. Micropollutants (MPs) have been found in both surface water and groundwater, indicating insufficient removal of MPs by OSSFs. LÄS MER

  4. 3. Assessment of Computational Methods for Ligand Binding

    Författare :Paulius Mikulskis; Beräkningskemi; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; binding affinities; MM GBSA; MM PBSA; LIE; FEP; TI; BAR; protein-ligand complexes; drug design;

    Sammanfattning : Most drugs act on biomacromolecules. The Cost of developing new drugs is very high. A method to accurately predict binding affinities would be very useful. LÄS MER