Search Result "quantum calculations"


Quantum Chemical Studies on Ultimate Carcinogenic Metabolites from Polycyclic Aromatic Hydrocarbons

Journal: Current Medicinal Chemistry
Volume: 15 Issue: 2 Year: 2008 Page: 2901-2920
Author(s): Gabriela L. Borosky

Estimation of Human Carbonic Anhydrase II Inhibition Using Topological Indices and their Combination with Quantum-Theoretical Descriptors

Journal: Medicinal Chemistry
Volume: 4 Issue: 1 Year: 2008 Page: 30-66
Author(s): Padmakar V. Khadikar, Jyoti Singh, Shalini Singh, Rajika Mishra, Claudiu T. Supuran, Brian W. Clare, Meenakshi Lakhwani

How Do Rotameric Conformations Influence the Time-Resolved Fluorescence of Tryptophan in Proteins? A Perspective Based on Molecular Modeling and Quantum Chemistry

Journal: Current Protein & Peptide Science
Volume: 9 Issue: 5 Year: 2008 Page: 427-446
Author(s): Samuel L.C. Moors, Abel Jonckheer, Marc De Maeyer, Yves Engelborghs, Arnout Ceulemans

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

Computational Methods for Calculation of Ligand-Binding Affinity

Journal: Current Drug Targets
Volume: 9 Issue: 1 Year: 2008 Page: 1031-1039
Author(s): Walter Filgueira de Azevedo Jr., Raquel Dias

Structural and Spectroscopic Elucidation of Tetrapetide Glycyl-L-Prolyl-Glycyl-Glycine and Its Hydrogensquarate

Journal: Protein & Peptide Letters
Volume: 15 Issue: 7 Year: 2008 Page: 713-718
Author(s): Tsonko M. Kolev

Complexing Energies and Angular Translation of Small Carbon Nanotube-Noble Gas Clusters

Journal: Current Nanoscience
Volume: 4 Issue: 1 Year: 2008 Page: 98-100
Author(s): Amirhasan Nourbakhsh

Nanomaterials and Nanotechnologies: Approaching the Crest of this Big Wave

Journal: Current Nanoscience
Volume: 4 Issue: 2 Year: 2008 Page: 119-129
Author(s): Vuk Uskokovic

Analysis of Pyridinium Aldoximes - A Chromatographic Approach

Journal: Current Medicinal Chemistry
Volume: 15 Issue: 2 Year: 2008 Page: 2401-2418
Author(s): T. Csermely, H. Kalasz, G. A. Petroianu, K. Kuca, F. Darvas, K. Ludanyi, A. A. Mudhafar, K. Tekes

Fluorescent Proteins as Biomarkers and Biosensors: Throwing Color Lights on Molecular and Cellular Processes

Journal: Current Protein & Peptide Science
Volume: 9 Issue: 4 Year: 2008 Page: 338-369
Author(s): Olesya V. Stepanenko, Vladislav V. Verkhusha, Irina M. Kuznetsova, Vladimir N. Uversky, K. K. Turoverov

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