Search Result "computational NMR."


Prediction of Bioactive Compounds Using Computed NMR Chemical Shifts

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 18 Issue: 6 Year: 2015 Page: 562-576
Author(s): Muthukumarasamy Karthikeyan,Pattuparambil Ramanpillai Rajamohanan,Renu Vyas

A Large-Scale Comparison of Computational Models on the Residue Flexibility for NMR-derived Proteins

Journal: Protein & Peptide Letters
Volume: 19 Issue: 2 Year: 2012 Page: 244-251
Author(s): Hua Zhang, Hanxiao Shi, Michelle Hanlon

NMR of the Enaminones

Ebook: Applications of NMR Spectroscopy
Volume: 3 Year: 2015
Author(s): Patrice L. Jackson-Ayotunde,Mariano S. Alexander,Ivan O. Edafiogho,Kenneth R. Scott
Doi: 10.2174/9781681080628115030007

Mini-Review Article

Essentials for Combined Experimental and Computational 77Se NMR of Organoselenium Catalysts and Bioinspired Antioxidants

Journal: Mini-Reviews in Organic Chemistry
Volume: 18 Issue: 2 Year: 2021 Page: 197-212
Author(s): Marco Bortoli,Giovanni Ribaudo,Laura Orian

NMR as a Tool for Exploring Protein Interactions and Dynamics

Ebook: Applications of NMR Spectroscopy
Volume: 8 Year: 2020
Author(s): Qamar Bashir,Naeem Rashid
Doi: 10.2174/9789811439971120080008

NMR in the Design of Antibacterials

Journal: Current Medicinal Chemistry
Volume: 21 Issue: 38 Year: 2014 Page: 4328-4346
Author(s): Emilija Arsovska,Gregor Mali,Simona Golic Grdadolnik,Anamarija Zega

Databases and Software for NMR-Based Metabolomics

Journal: Current Metabolomics
Volume: 1 Issue: 1 Year: 2013 Page: 28-40
Author(s): James J. Ellinger,Roger A. Chylla,Eldon L. Ulrich,John L. Markley

Metabolite Identification in NMR-based Metabolomics

Journal: Current Metabolomics
Volume: 2 Issue: 3 Year: 2014 Page: 163-173
Author(s): Santosh Kumar Bharti,Raja Roy

NMR-A Gate Way to Drug Discovery

Ebook: Structure-Activity Relationship Studies in Drug Development by NMR Spectroscopy
Volume: 1 Year: 2011
Author(s): Raghu Prasad Mailavaram,Murty Devarakonda
Doi: 10.2174/978160805164911101010001

NMR and In silico Screening

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 5 Issue: 8 Year: 2002 Page: 591-603
Author(s): Simon Rudisser, Wolfgang Jahnke

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