Showing results (31-40 of 91) with videos related to
Sort By:
Pageof 10
The Journal of Physical Chemistry. B|February 28, 2019
Solvent Composition Effects on the Structural Properties of the Aβ42 Monomer from the 3D-RISM-KH Molecular Theory of SolvationNikolay Blinov, David S Wishart, Andriy KovalenkoACS Omega|October 25, 2019
To Pass or Not To Pass: Predicting the Blood-Brain Barrier Permeability with the 3D-RISM-KH Molecular Solvation TheoryDipankar Roy, Vijaya Kumar Hinge, Andriy KovalenkoJournal of Computational Chemistry|April 24, 2012
Efficient treatment of solvation shells in 3D molecular theory of solvationSergey Gusarov, Bhalchandra S Pujari, Andriy KovalenkoJournal of Computer-Aided Molecular Design|May 16, 2019
Predicting skin permeability using the 3D-RISM-KH theory based solvation energy descriptors for a diverse class of compoundsVijaya Kumar Hinge, Dipankar Roy, Andriy KovalenkoJournal of Physics. Condensed Matter : an Institute of Physics Journal|August 24, 2016
A closure relation to molecular theory of solvation for macromoleculesAlexander E Kobryn, Sergey Gusarov, Andriy KovalenkoJournal of Computer-Aided Molecular Design|November 21, 2019
Prediction of P-glycoprotein inhibitors with machine learning classification models and 3D-RISM-KH theory based solvation energy descriptorsVijaya Kumar Hinge, Dipankar Roy, Andriy KovalenkoJournal of the American Chemical Society|November 3, 2005
Water molecules in a protein cavity detected by a statistical-mechanical theoryTakashi Imai, Ryusuke Hiraoka, Andriy Kovalenko, et al.Biophysical Journal|March 27, 2010
Association thermodynamics and conformational stability of beta-sheet amyloid beta(17-42) oligomers: effects of E22Q (Dutch) mutation and charge neutralizationNikolay Blinov, Lyudmyla Dorosh, David Wishart, et al.Langmuir : the ACS Journal of Surfaces and Colloids|March 21, 2008
Hierarchical self-assembly of organic prolate nanospheroids from hydrophobic rosette nanotubesGrigory Tikhomirov, Takeshi Yamazaki, Andriy Kovalenko, et al.Journal of Toxicology and Environmental Health. Part A|August 22, 2009
Essential role of hydration in aggregation of misfolded prion proteins: quantification by molecular theory of solvationTakeshi Yamazaki, Nikolay Blinov, David Wishart, et al.Pageof 10