JUMNA (junction minimisation of nucleic acids)
Identifieur interne : 000A87 ( Istex/Checkpoint ); précédent : 000A86; suivant : 000A88JUMNA (junction minimisation of nucleic acids)
Auteurs : R. Lavery [France] ; K. Zakrzewska [France] ; H. Sklenar [Allemagne]Source :
- Computer Physics Communications [ 0010-4655 ] ; 1995.
English descriptors
- Teeft :
- 2rid section homonomous symmetry, Acid, Adenine press, Adiabatic, Adiabatic mapping, Algorithm, Atom pairs, Atom types atom type, Atomic forces, Backbone, Backbone torsion, Backbone torsions, Backbone variables, Base composition, Base pair opening, Basic parameters, Biol, Biomol, Biopolymers, Biosym corporation, Bond lengths, Cambridge convention, Cation, Cation positions, Chem, Chemical bonds, Closure, Code zone, Combinatorial, Combinatorial search, Combinatorial searches, Computer physics, Computer physics communications, Conformation, Conformational, Conformational constraints, Conformational energy, Conformational transitions, Constraint, Constraint data, Constraint energy, Constraint options, Crystallographic data, Cylinder axis, Default values, Dependent variables, Derivative, Dielectric, Energy calculations, Energy components, Energy formulation, Energy minimisation, Energy optimisation, Energy penalties, Extra line, Final conformation, First base, First line, First strand, Flex, Flex block data, Flex force field, Force field, Full list, Global helical axis, Harwell program library, Helical, Helical axis, Helical parameters, Helical symmetry, Helical variables, Helicoidal, Helicoidal parameters, Helicoidal variables, Homonomous, Important reductions, Independent variables, Input data, Interatomic distances, Internal coordinates, Internal energy, Internal flexibility, Internal variables, Internucleotide bonds, Jumna, Jumna code, Junction minimisation, Kink, Kink variables, Lavery, Ligand, Ligand program, Ligand variables, Locking xdisp, Lower case letters, Minimisation, Modelling, Modelling algorithm, Namelist, Namelist input, Namelist variables, Nchem, Nchem program, Nucleic, Nucleic acid, Nucleic acid fragment, Nucleic acids, Nucleotide, Nucleotide library, Nucleotide strands, Numerical simulations, Option, Other variables, Output data, Parallel strands, Parameter, Phosphate group, Phosphodiester backbone, Physical variables, Present version, Pucker, Ribose, Scale factor, Second strand, Section homonomous symmetry, Sigmoidal dielectric function, Sklenar, Standard nucleotides, Strand, Struct, Successive nucleotides, Sugar moiety, Sugar puckers, Sugar rings, Sugar torsion, Symmetry, Symmetry constraints, Symmetry options, Terminal bases, Tetrahedral carbon, Torsion, Torsion angles, Total energy, Total number, Trigonal carbon, Unit cell, Utility program, Valence, Valence angles, Whole oligomer, Wide range, Wide variety, Xdisp, Ydisp.
Abstract
Abstract: The latest version of JUMNA program for the energy optimisation of nucleic acids and nucleic acid-ligand complexes is described. The force field used, input and output data, various options for symmetry, conformational constraints and energy mapping are discussed as well as recent combinatorial search techniques.
Url:
DOI: 10.1016/0010-4655(95)00046-I
Affiliations:
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ISTEX:0BD16839D8D249F56146DCB01671613C12FDDB38Le document en format XML
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<profileDesc><textClass><keywords scheme="Teeft" xml:lang="en"><term>2rid section homonomous symmetry</term>
<term>Acid</term>
<term>Adenine press</term>
<term>Adiabatic</term>
<term>Adiabatic mapping</term>
<term>Algorithm</term>
<term>Atom pairs</term>
<term>Atom types atom type</term>
<term>Atomic forces</term>
<term>Backbone</term>
<term>Backbone torsion</term>
<term>Backbone torsions</term>
<term>Backbone variables</term>
<term>Base composition</term>
<term>Base pair opening</term>
<term>Basic parameters</term>
<term>Biol</term>
<term>Biomol</term>
<term>Biopolymers</term>
<term>Biosym corporation</term>
<term>Bond lengths</term>
<term>Cambridge convention</term>
<term>Cation</term>
<term>Cation positions</term>
<term>Chem</term>
<term>Chemical bonds</term>
<term>Closure</term>
<term>Code zone</term>
<term>Combinatorial</term>
<term>Combinatorial search</term>
<term>Combinatorial searches</term>
<term>Computer physics</term>
<term>Computer physics communications</term>
<term>Conformation</term>
<term>Conformational</term>
<term>Conformational constraints</term>
<term>Conformational energy</term>
<term>Conformational transitions</term>
<term>Constraint</term>
<term>Constraint data</term>
<term>Constraint energy</term>
<term>Constraint options</term>
<term>Crystallographic data</term>
<term>Cylinder axis</term>
<term>Default values</term>
<term>Dependent variables</term>
<term>Derivative</term>
<term>Dielectric</term>
<term>Energy calculations</term>
<term>Energy components</term>
<term>Energy formulation</term>
<term>Energy minimisation</term>
<term>Energy optimisation</term>
<term>Energy penalties</term>
<term>Extra line</term>
<term>Final conformation</term>
<term>First base</term>
<term>First line</term>
<term>First strand</term>
<term>Flex</term>
<term>Flex block data</term>
<term>Flex force field</term>
<term>Force field</term>
<term>Full list</term>
<term>Global helical axis</term>
<term>Harwell program library</term>
<term>Helical</term>
<term>Helical axis</term>
<term>Helical parameters</term>
<term>Helical symmetry</term>
<term>Helical variables</term>
<term>Helicoidal</term>
<term>Helicoidal parameters</term>
<term>Helicoidal variables</term>
<term>Homonomous</term>
<term>Important reductions</term>
<term>Independent variables</term>
<term>Input data</term>
<term>Interatomic distances</term>
<term>Internal coordinates</term>
<term>Internal energy</term>
<term>Internal flexibility</term>
<term>Internal variables</term>
<term>Internucleotide bonds</term>
<term>Jumna</term>
<term>Jumna code</term>
<term>Junction minimisation</term>
<term>Kink</term>
<term>Kink variables</term>
<term>Lavery</term>
<term>Ligand</term>
<term>Ligand program</term>
<term>Ligand variables</term>
<term>Locking xdisp</term>
<term>Lower case letters</term>
<term>Minimisation</term>
<term>Modelling</term>
<term>Modelling algorithm</term>
<term>Namelist</term>
<term>Namelist input</term>
<term>Namelist variables</term>
<term>Nchem</term>
<term>Nchem program</term>
<term>Nucleic</term>
<term>Nucleic acid</term>
<term>Nucleic acid fragment</term>
<term>Nucleic acids</term>
<term>Nucleotide</term>
<term>Nucleotide library</term>
<term>Nucleotide strands</term>
<term>Numerical simulations</term>
<term>Option</term>
<term>Other variables</term>
<term>Output data</term>
<term>Parallel strands</term>
<term>Parameter</term>
<term>Phosphate group</term>
<term>Phosphodiester backbone</term>
<term>Physical variables</term>
<term>Present version</term>
<term>Pucker</term>
<term>Ribose</term>
<term>Scale factor</term>
<term>Second strand</term>
<term>Section homonomous symmetry</term>
<term>Sigmoidal dielectric function</term>
<term>Sklenar</term>
<term>Standard nucleotides</term>
<term>Strand</term>
<term>Struct</term>
<term>Successive nucleotides</term>
<term>Sugar moiety</term>
<term>Sugar puckers</term>
<term>Sugar rings</term>
<term>Sugar torsion</term>
<term>Symmetry</term>
<term>Symmetry constraints</term>
<term>Symmetry options</term>
<term>Terminal bases</term>
<term>Tetrahedral carbon</term>
<term>Torsion</term>
<term>Torsion angles</term>
<term>Total energy</term>
<term>Total number</term>
<term>Trigonal carbon</term>
<term>Unit cell</term>
<term>Utility program</term>
<term>Valence</term>
<term>Valence angles</term>
<term>Whole oligomer</term>
<term>Wide range</term>
<term>Wide variety</term>
<term>Xdisp</term>
<term>Ydisp</term>
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<front><div type="abstract" xml:lang="en">Abstract: The latest version of JUMNA program for the energy optimisation of nucleic acids and nucleic acid-ligand complexes is described. The force field used, input and output data, various options for symmetry, conformational constraints and energy mapping are discussed as well as recent combinatorial search techniques.</div>
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