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Volumn 105, Issue 4, 2013, Pages

Introducing titratable water to all-atom molecular dynamics at constant pH

Author keywords

[No Author keywords available]

Indexed keywords

CATION; HYDRONIUM ION; HYDROXIDE; PROTEIN; WATER;

EID: 84883005167     PISSN: 00063495     EISSN: 15420086     Source Type: Journal    
DOI: 10.1016/j.bpj.2013.06.036     Document Type: Article
Times cited : (72)

References (12)
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    • Constant pH molecular dynamics with proton tautomerism
    • J. Khandogin, and C.L. Brooks 3rd Constant pH molecular dynamics with proton tautomerism Biophys. J. 89 2005 141 157
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    • Donnini, S.1    Tegeler, F.2    Grubmüller, H.3
  • 7
    • 84855710487 scopus 로고    scopus 로고
    • Constant pH molecular dynamics simulations of nucleic acids in explicit solvent
    • G.B. Goh, J.L. Knight, and C.L. Brooks 3rd Constant pH molecular dynamics simulations of nucleic acids in explicit solvent J. Chem. Theory Comput. 8 2012 36 46
    • (2012) J. Chem. Theory Comput. , vol.8 , pp. 36-46
    • Goh, G.B.1    Knight, J.L.2    Brooks III, C.L.3
  • 8
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    • Charge-leveling and proper treatment of long-range electrostatics in all-atom molecular dynamics at constant pH
    • J.A. Wallace, and J.K. Shen Charge-leveling and proper treatment of long-range electrostatics in all-atom molecular dynamics at constant pH J. Chem. Phys. 137 2012 184105
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  • 10
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.