In silico screening of bioactive and biomimetic solutes using molecular integral equation theory

Current Pharmaceutical Design

Volumn 17, Issue 17, 2011, Pages 1695-1708

  Palmer, David S ^a   Chuev, Gennady N ^a,b   Ratkova, Ekaterina L ^a   Fedorov, Maxim V ^a  

^a MAX PLANCK INSTITUTE FOR MATHEMATICS IN THE SCIENCES   (Germany)

^b INSTITUTE OF THEORETICAL AND EXPERIMENTAL BIOPHYSICS   (Russian Federation)

Author keywords

Cheminformatics; Drug discovery; Hydration free energy; Pharmacokinetics; QSPR; Reference interaction site model; RISM; Self aggregation; Solubility

Indexed keywords

BIOMIMETIC MATERIAL;

BIOMIMETICS; CHEMICAL STRUCTURE; COMPUTATIONAL FLUID DYNAMICS; COMPUTER MODEL; DRUG RESEARCH; ENERGY; HYDRATION; MOLECULAR INTEGRAL EQUATION THEORY; PRIORITY JOURNAL; REVIEW; SOLVATION; THEORY;

BIOMIMETICS; DRUG DISCOVERY; MODELS, THEORETICAL; SOLUBILITY; THERMODYNAMICS;

EID: 79960306253     PISSN: 13816128     EISSN: 18734286     Source Type: Journal    
DOI: 10.2174/138161211796355065     Document Type: Review

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