Search Result "Explicit solvation."
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
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
Explicit Treatment of Water Molecules in Protein-Ligand Docking
Journal: Current Computer-Aided Drug Design
Volume: 5 Issue: 3 Year: 2009 Page: 145-154
Author(s): Oscar Villacanas, Sergio Madurga, Ernest Giralt, Ignasi Belda
Advances in the Treatment of Explicit Water Molecules in Docking and Binding Free Energy Calculations
Journal: Current Medicinal Chemistry
Volume: 26 Issue: 42 Year: 2019 Page: 7598-7622
Author(s): Xiao Hu,Irene Maffucci,Alessandro Contini
In Silico Screening of Bioactive and Biomimetic Solutes Using Molecular Integral Equation Theory
Journal: Current Pharmaceutical Design
Volume: 17 Issue: 1 Year: 2011 Page: 1695-1708
Author(s): David S. Palmer, Gennady N. Chuev, Ekaterina L. Ratkova, Maxim V. Fedorov
Calculating Water Thermodynamics in the Binding Site of Proteins â Applications of WaterMap to Drug Discovery
Journal: Current Topics in Medicinal Chemistry
Volume: 17 Issue: 23 Year: 2017 Page: 2586-2598
Author(s): Daniel Cappel,Woody Sherman,Thijs Beuming
Application of a Continuum Mean Field Approximation to Fullerenes in Lipid Bilayers
Journal: Current Nanoscience
Volume: 7 Issue: 5 Year: 2011 Page: 667-673
Author(s): R. J.K. Udayana Ranatunga, Steven O. Nielsen
Protein Interactions, Hydration and Solvation Structure in Osmolyte Solutions: Lysozyme in Free Amino Acids Solutions
Journal: Current Physical Chemistry
Volume: 4 Issue: 2 Year: 2014 Page: 202-215
Author(s): Abdoul Rahim,K. J. Jalkanen
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
Computer Simulations Study of Biomolecules in Non-Aqueous or Cosolvent/Water Mixture Solutions
Journal: Current Protein & Peptide Science
Volume: 9 Issue: 4 Year: 2008 Page: 407-426
Author(s): Danilo Roccatano