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Comprehensive Approach to Protein Structure Determination

Explore methods for determining protein structure from amino acid sequence using comparative alignment and de novo simulation in computational biology. Utilize algorithms to align sequences, simulate folding, and analyze structural information efficiently.

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Comprehensive Approach to Protein Structure Determination

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  1. ? Determine protein structure from amino acid sequence.Ray LuoUC Berkeley EECS UC Berkeley :: EECS :: rluo@uclink

  2. Polypeptide: amino acid sequence Folded protein: 3D structure Information flows from DNA to RNA to polypeptide string to folded protein. UC Berkeley :: EECS :: rluo@uclink

  3. Amino acid sequence encodes the 3D structure and function of a protein. UC Berkeley :: EECS :: rluo@uclink

  4. Protein in database New protein : Protein in database Alignment { : New protein Comparative methods align sequence against known proteins in a database. UC Berkeley :: EECS :: rluo@uclink

  5. Transition state - Free energy Unfolded protein Folded protein Reaction coordinate De novo methods search for a stable structure by simulating protein folding. UC Berkeley :: EECS :: rluo@uclink

  6. De novo ? Comparative Most proteins have complicated 3D structures requiring efficient algorithms. UC Berkeley :: EECS :: rluo@uclink

  7. Cooperative Approach: Protein folding Clustering Sampling Sequence alignment Utilize de novo simulation to support comparative alignment and vice versa. UC Berkeley :: EECS :: rluo@uclink

  8. Protein folding Sequence alignment Determine protein structure from amino acid sequence using comparative alignment and protein folding simulation. UC Berkeley :: EECS :: rluo@uclink

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