Search Result "quantum medicinal chemistry and X-ray crystallographic analysis"

Leveraging NMR and X-ray Data of the Free Ligands to Build Better Drugs Targeting Angiotensin II Type 1 G-Protein Coupled Receptor

Journal: Current Medicinal Chemistry
Volume: 23 Issue: 1 Year: 2016 Page: 36-59
Author(s): Tahsin F. Kellici,Dimitrios Ntountaniotis,Eftichia Kritsi,Maria Zervou,Panagiotis Zoumpoulakis,Constantinos Potamitis,Serdar Durdagi,Ramin Ekhteiari Salmas,Gizem Ergun,Ebru Gokdemir,Maria Halabalaki,Ioannis P. Gerothanassis,George Liapakis,Andreas Tzakos,Thomas Mavromoustakos

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

Artificial Neural Networks for Efficient Clustering of Conformational Ensembles and their Potential for Medicinal Chemistry

Journal: Current Topics in Medicinal Chemistry
Volume: 13 Issue: 5 Year: 2013 Page: 642-651
Author(s): Alessandro Pandini, Domenico Fraccalvieri, Laura Bonati

In Vitro Inhibition of Glyoxalase І by Flavonoids: New Insights from Crystallographic Analysis

Journal: Current Topics in Medicinal Chemistry
Volume: 16 Issue: 4 Year: 2016 Page: 460-466
Author(s): Hong Zhang,Jing Zhai,Liping Zhang,Cuiyun Li,Yining Zhao,Yunyun Chen,Qing Li,Xiao Peng Hu

Structural Studies on N-(1-naphthyl)-3-amino-5-oxo-4-phenyl-1Hpyrazole- 1-carboxamide with Antibacterial Activity

Journal: Letters in Organic Chemistry
Volume: 11 Issue: 1 Year: 2014 Page: 40-48
Author(s): Agnieszka A. Kaczor, Tomasz Wrobel, Zbigniew Karczmarzyk, Waldemar Wysocki, Andrzej Fruzinski, Malgorzata Brodacka, Dariusz Matosiuk, Monika Pitucha

Research Article

One Pot Synthesis of New Benzimidazole Derivatives with Exceptionally High Luminescence Quantum Efficiency

Journal: Current Organic Synthesis
Volume: 21 Issue: 8 Year: 2024 Page: 1091-1101
Author(s): Ennin Vendish Kweku

Quantum Chemical Analysis of MHC-Peptide Interactions for Vaccine Design

Journal: Mini-Reviews in Medicinal Chemistry
Volume: 10 Issue: 8 Year: 2010 Page: 746-758
Author(s): W.A. Agudelo, M.E. Patarroyo

Review Article

A Practical Guide to Molecular Docking and Homology Modelling for Medicinal Chemists

Journal: Current Topics in Medicinal Chemistry
Volume: 17 Issue: 18 Year: 2017 Page: 2023-2040
Author(s): Anna E. Lohning,Stephan M. Levonis,Billy Williams-Noonan,Stephanie S. Schweiker

Medicinal Chemistry and the Molecular Operating Environment (MOE): Application of QSAR and Molecular Docking to Drug Discovery

Journal: Current Topics in Medicinal Chemistry
Volume: 8 Issue: 1 Year: 2008 Page: 1555-1572
Author(s): Santiago Vilar, Giorgio Cozza, Stefano Moro

High Throughput Screening for Bioactive Components from Traditional Chinese Medicine

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 13 Issue: 1 Year: 2010 Page: 837-848
Author(s): Yanhui Zhu, Zhiyun Zhang, Meng Zhang, Dale E. Mais, Ming-Wei Wang

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