Search Result "PM6"


PM6, PM7 and RM1 Quantum Chemistry Modeling of MEH-PPV and PEDOT Polymers

Journal: Current Physical Chemistry
Volume: 6 Issue: 2 Year: 2016 Page: 96-104
Author(s): Ageo M. de Andrade,Alexandre Camilo Junior,Sergio R. de Lazaro

Theoretical Investigation on PEDOT Polymeric Chain Structure through Dimeric Rotational Barrier

Journal: Current Physical Chemistry
Volume: 5 Issue: 4 Year: 2015 Page: 301-307
Author(s):

Research Article

Development of QSPR Strategy for the Solubility Prediction

Journal: Current Computer-Aided Drug Design
Volume: 14 Issue: 4 Year: 2018 Page: 302-309
Author(s): Nupur S. Munjal,Manu Sharma,Tiratha Raj Singh

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

Theoretical Study and Principal Component Analysis of Focal Adhesion Kinase Inhibitors

Journal: Current Physical Chemistry
Volume: 5 Issue: 4 Year: 2015 Page: 337-346
Author(s):

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 Lepsík,Pavel Hobza

In Vitro High Throughput Phage Display Selection of Ovarian Cancer Avid Phage Clones for Near-Infrared Optical Imaging

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 17 Issue: 10 Year: 2014 Page: 859-867
Author(s): Mette Soendergaard,Jessica R. Newton-Northup,Susan L. Deutscher

Research Article

Arylsulfonylhydrazone Induced Apoptosis in MDA-MB-231 Breast Cancer Cells

Journal: Letters in Drug Design & Discovery
Volume: 15 Issue: 1 Year: 2018 Page: 1288-1298
Author(s): Thais Batista Fernandes,Ricardo Alexandre de Azevedo,Rosania Yang,Sarah Fernandes Teixeira,Gustavo Henrique Goulart Trossini,Jose Alexandre Marzagao Barbuto,Adilson Kleber Ferreira,Roberto Parise-Filho

Research Article

In Silico Analysis of the Antidepressant Fluoxetine and Related Drugs atSARS-CoV-2 Main Protease (Mpro) and Papain-like Protease (PLpro)

Journal: Current Drug Discovery Technologies
Volume: 20 Issue: 2 Year: 2023 Page: 29-40
Author(s): Folorunsho Bright Omage,Cássia Pereira Delgado,Pablo Andrei Nogara

Research Article

Theoretical Analysis for the Safe Form and Dosage of Amygdalin Product

Journal: Anti-Cancer Agents in Medicinal Chemistry
Volume: 20 Issue: 7 Year: 2020 Page: 897-908
Author(s): Vasil Tsanov,Hristo Tsanov

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