Prediction of titration properties of structures of a protein derived from molecular dynamics trajectories

Protein Science

Volumn 6, Issue 2, 1997, Pages 373-382

  Wlodek, S T ^a   Antosiewicz, J ^b   McCammon, J A ^c  

^a UNIVERSITY OF HOUSTON   (United States)

^b UNIVERSITY OF WARSAW   (Poland)

^c UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

BPTI; pK(a); Poisson Boltzmann equation; protein continuum electrostatic model; protein ionization state

Indexed keywords

APROTININ;

ARTICLE; COMPUTER SIMULATION; CRYSTAL STRUCTURE; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE; PKA; PREDICTION; PRIORITY JOURNAL; PROTEIN STRUCTURE;

EID: 0031052519     PISSN: 09618368     EISSN: None     Source Type: Journal    
DOI: 10.1002/pro.5560060213     Document Type: Article

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