Search Result "ligand-charge"


Binding Free Energy Estimation for Protein-Ligand Complex Based on MM-PBSA with Various Partial Charge Models

Journal: Current Pharmaceutical Design
Volume: 19 Issue: 12 Year: 2013 Page: 2293-2307
Author(s): Ting Fu,Zhong Jin,Zhilong Xiu,Guohui Li

Research Article

Effect of Polarization of Ligand Charges and Estimation of MM/GBSA Binding Free Energies of Some Pyrazolo[3,4-d]pyrimidine Inhibitors of Mycobacterium Tuberculosis in View of Experimental Results

Journal: Current Enzyme Inhibition
Volume: 13 Issue: 3 Year: 2017 Page: 216-225
Author(s): Bindesh Kumar Shukla,Umesh Yadava

Ligands with Delocalized Charge Density and Hydrophobicity Significantly Affect the Transfection Efficacy of the PAMAM Dendrimer

Journal: Pharmaceutical Nanotechnology
Volume: 2 Issue: 4 Year: 2014 Page: 196-207
Author(s): Santosh Yadav, Ayushi Priyam, Manohar Mahato, Smriti R. Deka, Ashwani K. Sharma

GluVII:06 - A Highly Conserved and Selective Anchor Point for Non-Peptide Ligands in Chemokine Receptors

Journal: Current Topics in Medicinal Chemistry
Volume: 6 Issue: 1 Year: 2006 Page: 1319-1333
Author(s): Mette M. Rosenkilde, Thue W. Schwartz

Calculating the Protonation States of Proteins and Small Molecules: Implications to Ligand-Receptor Interactions

Journal: Current Computer-Aided Drug Design
Volume: 4 Issue: 3 Year: 2008 Page: 169-179
Author(s): Rooplekha Mitra, Radhey Shyam, Indranil Mitra, Maria A. Miteva, Emil Alexov

IgG Aggregate Removal by Charged-Hydrophobic Mixed Mode Chromatography

Journal: Current Pharmaceutical Biotechnology
Volume: 10 Issue: 4 Year: 2009 Page: 434-439
Author(s): Pete Gagnon

Molecular Engineering of Ruthenium Sensitizers in Dye-Sensitized Solar Cells

Journal: Current Organic Chemistry
Volume: 11 Issue: 1 Year: 2007 Page: 1272-1286
Author(s): Puhui Xie, Fengqi Guo

Antibody-Ligand Interactions: Computational Modeli ng and Correlation with Biophysical Measurements

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 4 Issue: 5 Year: 2001 Page: 439-449
Author(s): D. S. Linthicum, S. Y. Tetin, J. M. Anchin, T. R. Loerger

Multiple, Ligand-dependent Routes from the Active Site of Cytochrome P450 2C9

Journal: Current Drug Metabolism
Volume: 13 Issue: 2 Year: 2012 Page: 143-154
Author(s): Vlad Cojocaru, Peter J. Winn, Rebecca C. Wade

Research Article

Medicinal Chemistry of P2X Receptors: Allosteric Modulators

Journal: Current Medicinal Chemistry
Volume: 22 Issue: 7 Year: 2015 Page: 929-941
Author(s): Christa E. Muller

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