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Volumn 137, Issue 24, 2012, Pages

Note: FixSol solvation model and FIXPVA2 tessellation scheme

Author keywords

[No Author keywords available]

Indexed keywords

BIOLOGICAL FORCES; CHARGE INTERACTIONS; DNA MOLECULES; FIXED POINTS; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR SURFACES; SOFT-CORE POTENTIALS; SOLVATION MODELS; VARIABLE AREA;

EID: 84872036935     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4773280     Document Type: Article
Times cited : (21)

References (20)
  • 4
    • 84961985847 scopus 로고    scopus 로고
    • 10.1021/jp9716997
    • V. Barone and M. Cossi, J. Phys. Chem. A 102 (11), 1995 (1998); 10.1021/jp9716997
    • (1998) J. Phys. Chem. A , vol.102 , Issue.11 , pp. 1995
    • Barone, V.1    Cossi, M.2
  • 5
    • 0036114065 scopus 로고    scopus 로고
    • 10.1007/s00214-001-0303-0
    • D. M. Chipman and M. Dupuis, Theor. Chem. Acc. 107 (2), 90 (2002). 10.1007/s00214-001-0303-0
    • (2002) Theor. Chem. Acc. , vol.107 , Issue.2 , pp. 90
    • Chipman, D.M.1    Dupuis, M.2
  • 6
    • 84962433811 scopus 로고    scopus 로고
    • 10.1063/1.3077917
    • P. Su and H. Li, J. Chem. Phys. 130 (7), 074109 (2009). 10.1063/1.3077917
    • (2009) J. Chem. Phys. , vol.130 , Issue.7 , pp. 074109
    • Su, P.1    Li, H.2
  • 7
    • 84962383301 scopus 로고    scopus 로고
    • 10.1063/1.3649947
    • D. J. Si and H. Li, J. Chem. Phys. 135 (14), 144107 (2011); 10.1063/1.3649947
    • (2011) J. Chem. Phys. , vol.135 , Issue.14 , pp. 144107
    • Si, D.J.1    Li, H.2
  • 8
    • 77956259339 scopus 로고    scopus 로고
    • 10.1063/1.3462248
    • Y. Wang and H. Li, J. Chem. Phys. 133 (3), 034108 (2010). 10.1063/1.3462248
    • (2010) J. Chem. Phys. , vol.133 , Issue.3 , pp. 034108
    • Wang, Y.1    Li, H.2
  • 12
    • 84962427522 scopus 로고    scopus 로고
    • 10.1002/jcc.20076
    • C. S. Pomelli, J. Comput. Chem. 25 (12), 1532 (2004). 10.1002/jcc.20076
    • (2004) J. Comput. Chem. , vol.25 , Issue.12 , pp. 1532
    • Pomelli, C.S.1
  • 13
    • 0001355552 scopus 로고    scopus 로고
    • 10.1021/jp992097l
    • D. M. York and M. Karplus, J. Phys. Chem. A 103 (50), 11060 (1999). 10.1021/jp992097l
    • (1999) J. Phys. Chem. A , vol.103 , Issue.50 , pp. 11060
    • York, D.M.1    Karplus, M.2
  • 14
    • 84872037347 scopus 로고    scopus 로고
    • See supplementary material at E-JCPSA6-137-005302 for computational methods, Figure S1, Tables S1 and S2
    • See supplementary material at http://dx.doi.org/10.1063/1.4773280 E-JCPSA6-137-005302 for computational methods, Figure S1, Tables S1 and S2.
  • 15
    • 33746614482 scopus 로고
    • 10.1063/1.456153
    • T. H. Dunning, J. Chem. Phys. 90 (2), 1007 (1989). 10.1063/1.456153
    • (1989) J. Chem. Phys. , vol.90 , Issue.2 , pp. 1007
    • Dunning, T.H.1
  • 16
    • 0001242234 scopus 로고    scopus 로고
    • also available at. 10.1002/(SICI)1096-987X(199905)20:7<730::AID- JCC8>3.0.CO;2-T
    • T. A. Halgren, J. Comput. Chem. 20 (7), 730 (1999); also available at http://server.ccl.net/cca/data/MMFF94/. 10.1002/(SICI)1096-987X(199905)20: 7<730::AID-JCC8>3.0.CO;2-T
    • (1999) J. Comput. Chem. , vol.20 , Issue.7 , pp. 730
    • Halgren, T.A.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.