Automated molecular library generation of proteic fragments by virtual proteolysis for molecular modelling studies (Record no. 43024)

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003 - CONTROL NUMBER IDENTIFIER
control field MX-MdCICY
005 - DATE AND TIME OF LATEST TRANSACTION
control field 20250625124726.0
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Transcribing agency CICY
090 ## - LOCALLY ASSIGNED LC-TYPE CALL NUMBER (OCLC); LOCAL CALL NUMBER (RLIN)
Classification number (OCLC) (R) ; Classification number, CALL (RLIN) (NR) B-8722
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245 10 - TITLE STATEMENT
Title Automated molecular library generation of proteic fragments by virtual proteolysis for molecular modelling studies
490 0# - SERIES STATEMENT
Volume/sequential designation In Silico Biology, 6(5), p.449-457, 2006
520 3# - SUMMARY, ETC.
Summary, etc. This paper presents a computer aided design method useful for simulation of a set of proteolytic cleavages upon target proteins obtained from the Brookhaven Data Bank. The method was developed by using algorithms that are able to interface themselves with other software environments, in order to assist computer analyses in the molecular modelling field, and allowing the generation of molecular libraries containing protein fragments produced by simulated proteolysis. These libraries include structures that differ for several amino acid deletions upon specified regions of the primary sequence. Target residues chosen for the simulation are compatible with enzymatic proteolysis methods used in conventional laboratory procedures. Furthermore, algorithms were able to identify a set of chemical-physical properties of the starting proteins, leading the simulation to find out the most suitable residues for proteolysis. The goal of these strategies is to generate fragments that are leaded to maintain the native-like condition of starting molecules, avoiding loss of conformational characteristics of the original tertiary structure. Proteins chosen for generating proteolytic libraries were represented by naphthalene 1,2 dioxygenase and Rigidoporus lignosus laccase.
650 14 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name entry element MOLECULAR LIBRARY GENERATION
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Topical term or geographic name entry element MOLECULAR MODELLING
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Topical term or geographic name entry element CLOSED LOOPS
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Topical term or geographic name entry element VIRTUAL PROTEOLYSIS
650 14 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name entry element SCREENING AND FRAGMENTATION
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Topical term or geographic name entry element LEADING PROTEINS
650 14 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name entry element TARGET AMINO ACIDS
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Topical term or geographic name entry element HYDROPHOBIC PROFILE
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Topical term or geographic name entry element SECONDARY STRUCTURE
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Topical term or geographic name entry element SEQUENCE COMPARISON
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Topical term or geographic name entry element FOLDING PATHWAY
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Topical term or geographic name entry element PDB FILES
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Topical term or geographic name entry element NDO
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Topical term or geographic name entry element RI LACCASE
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Topical term or geographic name entry element 3D STRUCTURES DETECTION
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Topical term or geographic name entry element 3D STRUCTURES DETECTION
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Topical term or geographic name entry element PROTEIN DESIGN
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Topical term or geographic name entry element LABORATORY PROCEDURES
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Topical term or geographic name entry element OIL BIOREMEDATION
700 12 - ADDED ENTRY--PERSONAL NAME
Personal name Librando, V.
700 12 - ADDED ENTRY--PERSONAL NAME
Personal name Gullotto, D.
700 12 - ADDED ENTRY--PERSONAL NAME
Personal name Minniti, Z.
856 40 - ELECTRONIC LOCATION AND ACCESS
Uniform Resource Identifier <a href="https://drive.google.com/file/d/1AavRHYQv2VPkopwPycqPx8x9Z7YsJ_eH/view?usp=drivesdk">https://drive.google.com/file/d/1AavRHYQv2VPkopwPycqPx8x9Z7YsJ_eH/view?usp=drivesdk</a>
Public note Para ver el documento ingresa a Google con tu cuenta: @cicy.edu.mx
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Source of classification or shelving scheme Clasificación local
Koha item type Documentos solicitados
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Lost status Source of classification or shelving scheme Damaged status Not for loan Collection Home library Current library Shelving location Date acquired Total checkouts Full call number Date last seen Price effective from Koha item type
  Clasificación local     Ref1 CICY CICY Documento préstamo interbibliotecario 25.06.2025   B-8722 25.06.2025 25.06.2025 Documentos solicitados