Search Result "semiempirical MO method"
Quantum Chemical Approaches: Semiempirical Molecular Orbital and Hybrid Quantum Mechanical/Molecular Mechanical Techniques
Journal: Current Pharmaceutical Design
Volume: 20 Issue: 20 Year: 2014 Page: 3293-3302
Author(s): Richard A. Bryce,Ian H. Hillier
Quantum Mechanical (QM) Calculations Applied to ADMET Drug Prediction: A Review
Journal: Current Drug Metabolism
Volume: 18 Issue: 6 Year: 2017 Page: 511-526
Author(s): E. F. Silva-Júnior,T. M. Aquino,J. X. Araújo-Júnior
From Conventional Prodrugs to Prodrugs Designed by Molecular Orbital Methods
Ebook: Frontiers in Computational Chemistry
Volume: 2 Year: 2015
Author(s): Rafik Karaman
Doi: 10.2174/9781608059782115020007
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
Oligomerization of G Protein-Coupled Receptors: Computational Methods
Journal: Current Medicinal Chemistry
Volume: 18 Issue: 3 Year: 2011 Page: 4588-4605
Author(s): J. Selent, A.A. Kaczor
Reliable but Timesaving: In Search of an Efficient Quantum-chemical Method for the Description of Functional Fullerenes
Journal: Current Topics in Medicinal Chemistry
Volume: 15 Issue: 18 Year: 2015 Page: 1845-1858
Author(s): H. Reis,B. Rasulev,M.G. Papadopoulos,J. Leszczynski
Synthesis and In Vitro Antimicrobial Evaluation of 4-alkyl/aryl-1-(3-phenoxypropionyl)-thiosemicarbazides
Journal: Letters in Drug Design & Discovery
Volume: 7 Issue: 1 Year: 2010 Page: 737-742
Author(s): Monika Wujec, Agata Siwek, Edyta Kusmierz, Joanna Stefanska
Electron-Topological Method of the Non-Nucleoside HIV-1 RT Inhibitors Study: Structure-Activity Relationships
Journal: Current HIV Research
Volume: 5 Issue: 5 Year: 2007 Page: 449-458
Author(s): Fatma Kandemirli, Vasyl Kovalishyn, Sedat Giray Kandemirli
Investigation of Dissociation Process of Some 4-Methoxybenzaldehyde Benzoylhydrazones in Sodium Hydroxide Media by UV Spectroscopy
Journal: Letters in Organic Chemistry
Volume: 15 Issue: 6 Year: 2018 Page: 515-522
Author(s): Mirjana S. Jankulovska,Ilinka Spirevska,Vesna Dimova
Oligomerization of G Protein-Coupled Receptors: Biochemical and Biophysical Methods
Journal: Current Medicinal Chemistry
Volume: 18 Issue: 3 Year: 2011 Page: 4606-4634
Author(s): A.A. Kaczor, J. Selent