Search Result "explicit solvent"
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
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
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
Odyssey of Deep Eutectic Solvents as Sustainable Media for MulticomponentReactions: An Update
Journal: Mini-Reviews in Organic Chemistry
Volume: 20 Issue: 2 Year: 2023 Page: 156-189
Author(s):
Capillary Electrophoresis with Organic Solvents in Pharmaceutical Analysis: A Systematic Guide through the Background
Journal: Current Analytical Chemistry
Volume: 10 Issue: 2 Year: 2014 Page: 248-266
Author(s): Abolghasem Jouyban,Ernst Kenndler
Computer Simulations of Biomolecules in Non-Aqueous and Semi-Aqueous Solvent Conditions
Ebook: Advances in Protein and Peptide Sciences
Volume: 1 Year: 2013
Author(s): Danilo Roccatano
Doi: 10.2174/9781608054879113010012
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
Deciphering the Flexibility and Dynamics of Geobacillus zalihae Strain T1 Lipase at High Temperatures by Molecular Dynamics Simulation (Supplementary Material)
Journal: Protein & Peptide Letters
Volume: 16 Issue: 1 Year: 2009 Page: 1360-1370
Author(s): Mohd Basyaruddin Abdul Rahman, Roghayeh Abedi Karjiban, Abu Bakar Salleh, Donald Jacobs, Mahiran Basri, Adam Leow Thean Chor, Habibah Abdul Wahab, Raja Noor Zaliha Raja Abd Rahman
Recent Developments In Raman Optical Activity Calculations On Biomolecules (Mini-review)
Journal: Current Physical Chemistry
Volume: 3 Issue: 2 Year: 2013 Page: 140-150
Author(s): Christian Johannessen, Ewan W. Blanch
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