Search Result "polarizable continuum model"
Development, Validation, and Applications of Anisotropic Polarizable Molecular Mechanics to Study Ligand and Drug-Receptor Interactions
Journal: Current Pharmaceutical Design
Volume: 12 Issue: 1 Year: 2006 Page: 2121-2158
Author(s): Nohad Gresh
Modelling the Effect of Solvents on Carbohydrates
Journal: Mini-Reviews in Organic Chemistry
Volume: 8 Issue: 3 Year: 2011 Page: 249-255
Author(s): Vojtech Spiwok, Alfred D. French
Exploring Protein-Protein and Protein-Ligand Interactions in the Immune System using Molecular Dynamics and Continuum Electrostatics
Journal: Current Physical Chemistry
Volume: 2 Issue: 4 Year: 2012 Page: 324-343
Author(s): Chris A. Kieslich,Phanourios Tamamis,Ronald D. Gorham Jr.,Aliana Lopez de Victoria,Noriko U. Sausman,Georgios Archontis,Dimitrios Morikis
Targeting NMR Parameters and Dynamics of Radiosensitizers in Solution: Theoretical Studies of Prototypical Some Bioreductive Drugs
Ebook: Structure-Activity Relationship Studies in Drug Development by NMR Spectroscopy
Volume: 1 Year: 2011
Author(s): Teodorico C. Ramalho,Elaine F. F. da Cunha,Marcus V. J. Rocha
Doi: 10.2174/978160805164911101010145
QSAR Analysis of Compounds Exhibiting General Anestheticsâ Properties
Journal: Letters in Drug Design & Discovery
Volume: 9 Issue: 6 Year: 2012 Page: 595-603
Author(s): Leszek Bober,Piotr Kawczak,Tomasz Baczek
Evaluation of Chemotherapeutic Activity of the Selected Basesâ Analogues of Nucleic Acids Supported by ab initio Various Quantum Chemical Calculations
Journal: Current Computer-Aided Drug Design
Volume: 16 Issue: 2 Year: 2020 Page: 93-103
Author(s): Piotr Kawczak,Leszek Bober,Tomasz BÄ
czek
Computational Models for Central Nervous System Penetration
Journal: Current Computer-Aided Drug Design
Volume: 5 Issue: 2 Year: 2009 Page: 71-89
Author(s): Anthony E. Klon
Conformational Electrostatics in the Stabilization of the Peptide Anion
Journal: Current Organic Chemistry
Volume: 14 Issue: 2 Year: 2010 Page: 162-180
Author(s): Janet S. Anderson, Griselda Hernandez, David M. LeMaster
Theoretical Study of Mono-terminal Functionalized Oligo Acetylene [CnHn+2X] (n=3-5, X= - COOH, and - PO3H2) in Gas and Aqueous Phases
Journal: Current Physical Chemistry
Volume: 8 Issue: 2 Year: 2018 Page: 95-108
Author(s): Nada Edres,Sahar Abdalla,Yunusa Umar