5 research outputs found

    Computational modelling of metal-mediated protein-ligand interactions

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    Although metalloproteins account for nearly half of all proteins in nature, computational modelling of metal-mediated protein-ligand interactions is understudied and molecular mechanics programs and force field parameters compatible to proteins and transition metals are not readily available. Within this thesis, various computational approaches were pursued towards the design of artificial metalloenzymes and the modelling of metal- mediated protein ligand interactions. Four challenges were identified and addressed. The first consisted of the identification of suitable protein scaffolds for the creation of artificial facial-triad motifs. The second part focused on the development of reliable force field parameters for the anchoring of sulfonamide bearing anchors within human carbonic anhydrase 2. In order to reliably predict the geometry of catalytically relevant piano stool artificial cofactors within host proteins, the third part aimed at developing force-field parameters (using the Valbond formalism) for d6 -piano stool complexes. Finally, the fourth step combined the above developments towards the reliable prediction of first and second coordination sphere environments around artificial cofactors/inhibitors

    Major v. Security Equipment Corp. Clerk\u27s Record v. 2 Dckt. 39414

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    https://digitalcommons.law.uidaho.edu/idaho_supreme_court_record_briefs/2188/thumbnail.jp

    The Music Sound

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    A guide for music: compositions, events, forms, genres, groups, history, industry, instruments, language, live music, musicians, songs, musicology, techniques, terminology , theory, music video. Music is a human activity which involves structured and audible sounds, which is used for artistic or aesthetic, entertainment, or ceremonial purposes. The traditional or classical European aspects of music often listed are those elements given primacy in European-influenced classical music: melody, harmony, rhythm, tone color/timbre, and form. A more comprehensive list is given by stating the aspects of sound: pitch, timbre, loudness, and duration. Common terms used to discuss particular pieces include melody, which is a succession of notes heard as some sort of unit; chord, which is a simultaneity of notes heard as some sort of unit; chord progression, which is a succession of chords (simultaneity succession); harmony, which is the relationship between two or more pitches; counterpoint, which is the simultaneity and organization of different melodies; and rhythm, which is the organization of the durational aspects of music
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