Simulated annealing with restrained molecular dynamics using a flexible restraint potential: Theory and evaluation with simulated NMR constraints

Protein Science

Volumn 5, Issue 4, 1996, Pages 593-603

  Bassolino Klimas, Donna ^a   Tejero, Roberto ^b,c   Krystek, Stanley R ^a   Metzler, William J ^a   Montelione, Gaetano T ^b   Bruccoleri, Robert E ^a  

^a BRISTOL MYERS SQUIBB   (United States)

^b RUTGERS UNIVERSITY   (United States)

^c UNIVERSITY OF VALENCIA   (Spain)

Author keywords

coupling constants; energy minimization; solution NMR structure determination

Indexed keywords

POLYPEPTIDE;

ARTICLE; CHEMICAL STRUCTURE; COMPUTER PROGRAM; COMPUTER SIMULATION; CRYSTAL STRUCTURE; MATHEMATICAL COMPUTING; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE; PRIORITY JOURNAL; THEORY; THREE DIMENSIONAL IMAGING;

EID: 0030000521     PISSN: 09618368     EISSN: None     Source Type: Journal    
DOI: 10.1002/pro.5560050404     Document Type: Article

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