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Volumn 177, Issue 1-2 SPEC. ISS., 2007, Pages 210-213

Simulating botulinum neurotoxin with constant pH molecular dynamics in Generalized Born implicit solvent

Author keywords

Botulinum neurotoxin; Constant pH molecular dynamics; Generalized Born method

Indexed keywords

BOLTZMANN EQUATION; COMPUTER SIMULATION; MOLECULAR DYNAMICS; PH EFFECTS; PROTONATION;

EID: 34250678554     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cpc.2007.02.095     Document Type: Article
Times cited : (6)

References (11)
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  • 2
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  • 4
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    • Spectroscopic analysis of pH-induced changes in the molecular features of type a botulinum neurotoxin light chain
    • Li L., and Singh B.R. Spectroscopic analysis of pH-induced changes in the molecular features of type a botulinum neurotoxin light chain. Biochemistry 39 (2000) 6466-6474
    • (2000) Biochemistry , vol.39 , pp. 6466-6474
    • Li, L.1    Singh, B.R.2
  • 5
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    • A common subunit structure in Clostridium botulinum type A, B and E toxins
    • DasGupta B.R., and Sugiyama H. A common subunit structure in Clostridium botulinum type A, B and E toxins. Biochem. Biophys. Res. Commun. 48 (1972) 108-112
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  • 6
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    • Kinetic studies on the interaction between botulinum toxin type A and the cholinergic neuromuscular junction
    • Simpson L.L. Kinetic studies on the interaction between botulinum toxin type A and the cholinergic neuromuscular junction. J. Pharmacol. Exp. Ther. 212 (1980) 16-21
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  • 7
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    • Simulating proteins at constant pH: An approach combining molecular dynamics and Monte Carlo simulation
    • Burgi R., Kollman P.A., and Gunsteren W.F. Simulating proteins at constant pH: An approach combining molecular dynamics and Monte Carlo simulation. PROTEINS: Structure, Function, and Genetics 47 (2002) 469-480
    • (2002) PROTEINS: Structure, Function, and Genetics , vol.47 , pp. 469-480
    • Burgi, R.1    Kollman, P.A.2    Gunsteren, W.F.3
  • 8
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    • Constant pH molecular dynamics in generalized Born implicit solvent
    • Mongan J., Case D.A., and McCammon J.A. Constant pH molecular dynamics in generalized Born implicit solvent. J. Comput. Chem. 25 (2004) 2038-2048
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    • Effective Born radii in the generalized Born approximation: The importance of being perfect
    • Onufriev A., Case D.A., and Bashford D. Effective Born radii in the generalized Born approximation: The importance of being perfect. J. Comput. Chem. 23 (2002) 1297-1304
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.