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A Perspective on Quantum Mechanics Calculations in ADMET Predictions

Journal: Current Topics in Medicinal Chemistry
Volume: 13 Issue: 11 Year: 2013 Page: 1257-1272
Author(s): J. Phillip Bowen,Osman F. Guner

Chemical Nature and Reaction Mechanisms of the Molybdenum Cofactor of Xanthine Oxidoreductase

Journal: Current Pharmaceutical Design
Volume: 19 Issue: 1 Year: 2013 Page: 2606-2614
Author(s): Ken Okamoto, Teruo Kusano, Takeshi Nishino

Quantum Mechanical Scoring: Structural and Energetic Insights into Cyclin-Dependent Kinase 2 Inhibition by Pyrazolo[1,5-a]pyrimidines

Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 1 Year: 2013 Page: 118-129
Author(s): Pathik S. Brahmkshatriya,Petr Dobes,Jindrich Fanfrlik,Jan Rezac,Kamil Paruch,Agnieszka Bronowska,Martin LepsÃk,Pavel Hobza

Chemical and Structural Features Influencing the Biological Activity of Curcumin

Journal: Current Pharmaceutical Design
Volume: 19 Issue: 11 Year: 2013 Page: 2093-2100
Author(s): K. Indira Priyadarsini

Correct Protonation States and Relevant Waters = Better Computational Simulations?

Journal: Current Pharmaceutical Design
Volume: 19 Issue: 2 Year: 2013 Page: 4291-4309
Author(s): Francesca Spyrakis, Luca Dellafiora, Chenxiao Da, Glen E. Kellogg, Pietro Cozzini

Hydrazone-based Dysprosium Single Molecule Magnets

Journal: Current Inorganic Chemistry (Discontinued)
Volume: 3 Issue: 2 Year: 2013 Page: 101-111
Author(s): Peng Zhang,Li Zhang,Jinkui Tang

L-Proline Catalysed Domino Reactions for the Synthesis of Heterocycles

Journal: Current Organic Chemistry
Volume: 17 Issue: 1 Year: 2013 Page: 2038-2064
Author(s): Sethuraman Indumathi, Jose C. Menendez, Subbu Perumal

Resolving Differences in Substrate Specificities between Human and Parasite Phosphoribosyltransferases via Analysis of Functional Groups of Substrates and Receptors

Journal: Current Pharmaceutical Design
Volume: 19 Issue: 2 Year: 2013 Page: 4226-4240
Author(s): Zofia Gasik, David Shugar, Jan M. Antosiewicz

Structural and Molecular Docking Studies of 4-Benzyl-3-[(1-methylpyrrol- 2-yl)methyl]-4,5-dihydro-1H-1,2,4-triazol-5-one with Anticancer Activity

Journal: Medicinal Chemistry
Volume: 9 Issue: 3 Year: 2013 Page: 313-328
Author(s): Agnieszka A. Kaczor,Monika Pitucha,Zbigniew Karczmarzyk,Waldemar Wysocki,Jolanta Rzymowska,Dariusz Matosiuk

Curcumin: From Chemistry to Chemistry-Based Functions

Journal: Current Pharmaceutical Design
Volume: 19 Issue: 11 Year: 2013 Page: 2084-2092
Author(s): Akiko Jitoe-Masuda,Aya Fujimoto,Toshiya Masuda

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