Search Result "Hamiltonian approximations Austin model"
The Fundamentals of Molecular Simulations
Ebook: A Journey Through Water: A Scientific Exploration of The Most Anomalous Liquid on Earth
Volume: 1 Year: 2017
Author(s): Jestin Baby Mandumpal
Doi: 10.2174/9781681084237117010006
A Perspective on Quantum Mechanics Calculations in ADMET Predictions
Journal: Current Topics in Medicinal Chemistry
Volume: 13 Issue: 11 Year: 2013 Page: 1257-1272
Author(s): J. Phillip Bowen,Osman F. Guner
3D-QSAR Studies of Various Diaryl Urea Derivatives of Multi-targeted Receptor Tyrosine Kinase Inhibitors: Molecular Field Analysis Approach
Journal: Letters in Drug Design & Discovery
Volume: 5 Issue: 7 Year: 2008 Page: 437-448
Author(s): Neha Kansal, Om Silakari, Muttineni Ravikumar
Analysis of the α-Glucosidase Inhibitory Activity of Chromenone Derivatives Based on their Molecular Features: A Computational Study
Journal: Medicinal Chemistry
Volume: 7 Issue: 6 Year: 2011 Page: 526-533
Author(s): N. S. Hari Narayana Moorthy, Maria J. Ramos, Pedro A. Fernandes
From Laptop to Benchtop to Bedside: Structure-based Drug Design on Protein Targets
Journal: Current Pharmaceutical Design
Volume: 18 Issue: 9 Year: 2012 Page: 1217-1239
Author(s): Lu Chen, John K. Morrow, Hoang T. Tran, Sharangdhar S. Phatak, Lei Du-Cuny, Shuxing Zhang
Quantum Chemical Methods for Calculation of Non-Covalent Interactions in Biological Molecules
Journal: Current Physical Chemistry
Volume: 2 Issue: 4 Year: 2012 Page: 314-323
Author(s): Sarah Aldulaijan,James A. Platts
Quantitative Structure Activity Relationship (QSAR) Analysis of Substituted 4-Oxothiazolidines and 5-Arylidines as Lipoxygenase Inhibitors
Journal: Mini-Reviews in Medicinal Chemistry
Volume: 10 Issue: 8 Year: 2010 Page: 705-714
Author(s): A.N. Choudhary, A. Kumar, V. Juyal
Self-Organizing Molecular Field Analysis on Pyridazine Analogues as Protein Tyrosine Phosphatase 1B (PTP 1B) Inhibitors
Journal: Letters in Drug Design & Discovery
Volume: 7 Issue: 6 Year: 2010 Page: 395-401
Author(s): Suresh Thareja, Saurabh Aggarwal, Tilak Raj Bhardwaj, Manoj Kumar
Design, Synthesis and Evaluation of Chalcone Derivatives as Anti- Inflammatory, Antioxidant and Antiulcer Agents
Journal: Letters in Drug Design & Discovery
Volume: 9 Issue: 5 Year: 2012 Page: 479-488
Author(s): Alka N. Choudhary, Arun Kumar, Vijay Juy
QSAR Studies for the Pharmacological Inhibition of Glycogen Synthase Kinase-3
Journal: Medicinal Chemistry
Volume: 3 Issue: 4 Year: 2007 Page: 393-417
Author(s): Pablo R. Duchowicz, Eduardo A. Castro