Search Result "ligand-bindingaffinity."

Review Article

Role of the Supporting Surface in the Thermodynamics and Cooperativity of AxialLigand Binding to Metalloporphyrins at Interfaces

Journal: Current Organic Chemistry
Volume: 26 Issue: 6 Year: 2022 Page: 553-562
Author(s): Kristen N. Johnson,Zachary E. Fisher

Review Article

Supervised Machine Learning Methods Applied to Predict Ligand- Binding Affinity

Journal: Current Medicinal Chemistry
Volume: 24 Issue: 23 Year: 2017 Page: 2459-2470
Author(s): Gabriela S. Heck,Val O. Pintro,Richard R. Pereira,Mauricio B. de Ávila,Nayara M.B. Levin,Walter F. de Azevedo

Estimating Protein-Ligand Binding Affinity by NMR

Ebook: New Developments in Medicinal Chemistry
Volume: 2 Year: 2014
Author(s): Susimaire Pedersoli Mantoani,Peterson de Andrade,Carlos Henrique Tomich de Paula da Silva
Doi: 10.2174/9781608059546114020005

Research Article

Computational Analysis of Non-Synonymous SNPs Associated with Ephrin Receptor B2 Gene and Implication in Various Signaling Pathways: A Molecular Dynamics Approach

Journal: Current Bioinformatics
Volume: 13 Issue: 2 Year: 2018 Page: 176-181
Author(s): Iftikhar A. Tayubi,Sayane Shome

Review Article

Design Strategies, Chemistry and Therapeutic Insights of Multi-targetDirected Ligands as Antidepressant Agents

Journal: Current Neuropharmacology
Volume: 20 Issue: 7 Year: 2022 Page: 1329-1358
Author(s): Vikramdeep Monga,Gurpreet Singh,Bhupinder Kumar,Rohit Bhatia,Karanvir Singh

A Structural Feature of the Non-Peptide Ligand Interactions with Mice Mu-Opioid Receptors

Journal: Current Computer-Aided Drug Design
Volume: 10 Issue: 4 Year: 2014 Page: 354-360
Author(s): Hamid R. Noori,Christian Mucksch,Herbert M. Urbassek

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

Review Article

The Impact of Crystallographic Data for the Development of Machine Learning Models to Predict Protein-Ligand Binding Affinity

Journal: Current Medicinal Chemistry
Volume: 28 Issue: 34 Year: 2021 Page: 7006-7022
Author(s): Martina Veit-Acosta,Walter Filgueira de Azevedo Junior

Research Article

In-silico Studies, Synthesis, and Antacid Activities of Magnesium (II)Complexes

Journal: Current Drug Discovery Technologies
Volume: 21 Issue: 6 Year: 2024 Page: 1-11
Author(s):

In Silico Identification of Irreversible Cathepsin B Inhibitors as Anti- Cancer Agents: Virtual Screening, Covalent Docking Analysis and Molecular Dynamics Simulations

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 18 Issue: 4 Year: 2015 Page: 399-410
Author(s): Mbatha Sbongile, Mahmoud E.S. Soliman

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