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Volumn 35, Issue 4, 1995, Pages 738-742

Estimating Lipophilicity Using the GB/SA Continuum Solvation Model: A Direct Method for Computing Partition Coefficients

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Indexed keywords


EID: 33751155400     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci00026a011     Document Type: Article
Times cited : (31)

References (30)
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    • Klopman, G.; Li, J.-Y.; Wang, S.; Dimayuga, M. Computer Automated log P Calculations Based on an Extended Group Contribution Approach. J. Chem. Inf. Comput. Sci. 1994, 34, 752-781 and references therein.
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    • Klopman, G.1    Li, J.-Y.2    Wang, S.3    Dimayuga, M.4
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    • New Method for the Estimation of Partition Coefficient.
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    • AM1-SM2 and PM3-SM3 Parameterized SCF Solvation Models for Free Energies in Aqueous Solution.
    • and references therein.
    • Cramer, C. J.; Truhlar, D. G. AM1-SM2 and PM3-SM3 Parameterized SCF Solvation Models for Free Energies in Aqueous Solution. J. Comput.-Aided Mol. Design 1992, 6, 629-666 and references therein.
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    • J. The OPLS Potential Functions for Proteins. Energy Minimizations for Crystals of Cyclic Peptides and Crambin. J. Am. Chem. Soc.
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.