Search Result "solvation models"
Solvation Models: Theory and Validation
Journal: Current Pharmaceutical Design
Volume: 20 Issue: 20 Year: 2014 Page: 3266-3280
Author(s): Enrico O. Purisima,Traian Sulea
Solvation of Drugs as a Key for Understanding Partitioning and Passive Transport Exemplified by NSAIDs
Journal: Current Drug Delivery
Volume: 1 Issue: 3 Year: 2004 Page: 213-226
Author(s): German L. Perlovich, Annette Bauer-Brandl
Tuning the Solvation Term in the MM-PBSA/GBSA Binding Affinity Predictions
Ebook: Frontiers in Computational Chemistry
Volume: 1 Year: 2015
Author(s): Irene Maffucci,Alessandro Contini
Doi: 10.2174/9781608058648115010005
Electrostatic Contribution to the Ion Solvation Energy: Over-screening Effect in the Nonlocal Dielectric Response of the Polar Medium
Journal: Current Physical Chemistry
Volume: 6 Issue: 2 Year: 2016 Page: 120-129
Author(s): Andrey A. Rubashkin,Mikhail A. Vorotyntsev
High Throughput Cherry-Picking of Solvated Samples
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 13 Issue: 6 Year: 2010 Page: 482-489
Author(s): Robert Schmitt, Linda Traphagen, Phillip Hajduk
Prediction of Electrophoretic Mobility of Analytes Using Abraham Solvation Parameters by Different Chemometric Methods
Journal: Current Analytical Chemistry
Volume: 13 Issue: 4 Year: 2017 Page: 325-339
Author(s): Samin Hamidi,Ali Shayanfar,Hossein Hamidi,Elnaz Mehdizadeh Aghdam,Abolghasem Jouyban
Recent Advances in Free Energy Calculations with a Combination of Molecular Mechanics and Continuum Models
Journal: Current Computer-Aided Drug Design
Volume: 2 Issue: 3 Year: 2006 Page: 287-306
Author(s): Junmei Wang, Tingjun Hou, Xiaojie Xu
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
Conformational Flexibility Models for the Receptor in Structure Based Drug Design
Journal: Current Pharmaceutical Design
Volume: 9 Issue: 2 Year: 2003 Page: 1635-1648
Author(s): M. L. Teodoro, L. E. Kavraki
Molecular Dynamics Model of Unliganded HIV-1 Reverse Transcriptase
Journal: Medicinal Chemistry
Volume: 2 Issue: 5 Year: 2006 Page: 491-498
Author(s): A.T. P. Carvalho, P. A. Fernandes, M. J. Ramos