Search Result "PM5 calculations"


Research Article

Quantitative In Silico Analysis of D-Amino Acid Oxidase Reactivity and Inhibition

Journal: Current Bioactive Compounds
Volume: 13 Issue: 4 Year: 2017 Page: 312-317
Author(s): Toshihiko Hanai

Quantum Chemical Methods for Calculation of Non-Covalent Interactions in Biological Molecules

Journal: Current Physical Chemistry
Volume: 2 Issue: 4 Year: 2012 Page: 314-323
Author(s): Sarah Aldulaijan,James A. Platts

Molecular Pockets, Umbrellas and Quasi Podands from Steroids: Synthesis, Structure and Applications

Journal: Mini-Reviews in Organic Chemistry
Volume: 12 Issue: 3 Year: 2015 Page: 258-270
Author(s): Tomasz Pospieszny

Design and Synthesis of New Conjugates of Bile Acids with Salicylic, Acetylsalicylic and Nicotinic Acids

Journal: Letters in Organic Chemistry
Volume: 13 Issue: 4 Year: 2016 Page: 302-309
Author(s): Tomasz Pospieszny,Bogumił Brycki

Synthesis, Molecular Structure and Spectral Properties of New Aminosteroid Analogs of Squalamine Derivatives

Journal: Letters in Organic Chemistry
Volume: 12 Issue: 9 Year: 2015 Page: 674-684
Author(s): Tomasz Pospieszny,Hanna Koenig,Iwona Kowalczyk,Bogumil Brycki

Binding Free Energy Estimation for Protein-Ligand Complex Based on MM-PBSA with Various Partial Charge Models

Journal: Current Pharmaceutical Design
Volume: 19 Issue: 12 Year: 2013 Page: 2293-2307
Author(s): Ting Fu,Zhong Jin,Zhilong Xiu,Guohui Li

A Facile Synthesis of Dibenzylated p-tert-Butylcalix[4]Crowns Under Non- Diluted Reaction Conditions

Journal: Letters in Organic Chemistry
Volume: 1 Issue: 3 Year: 2004 Page: 276-279
Author(s): Hirohito Tsue, Tatsuya Takimoto, Rui Tamura, Chieko Kikuchi, Shunitz Tanaka

The Unique Photophysical Properties of the Peridinin-Chlorophyll-a-Protein

Journal: Current Protein & Peptide Science
Volume: 15 Issue: 4 Year: 2014 Page: 332-350
Author(s): Donatella Carbonera,Marilena Di Valentin,Riccardo Spezia,Alberto Mezzetti

Radical Ion Generation Processes of Organic Compounds in Electrospray Ionization Mass Spectrometry

Journal: Mini-Reviews in Organic Chemistry
Volume: 4 Issue: 1 Year: 2007 Page: 75-87
Author(s): R. Vessecchi, A. E. M. Crotti, T. Guaratini, P. Colepicolo, S. E. Galembeck, N. P. Lopes

Synthesis, In Vitro Activity and Rationalisation of a Series of Dialkyl Esters of 5-Aminosulfonylisophthanoate as Potential Estrone Sulfatase (ES) Inhibitors

Journal: Letters in Drug Design & Discovery
Volume: 11 Issue: 4 Year: 2014 Page: 437-443
Author(s): Sabbir Ahmed,Chirag K. Patel

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