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The Journal of Physical Chemistry. B|April 7, 2015
Octanol-Water Partition Coefficient from 3D-RISM-KH Molecular Theory of Solvation with Partial Molar Volume CorrectionWenJuan Huang, Nikolay Blinov, Andriy Kovalenko
The Journal of Physical Chemistry. B|September 8, 2017
Predicting Accurate Solvation Free Energy in n-Octanol Using 3D-RISM-KH Molecular Theory of Solvation: Making Right ChoicesDipankar Roy, Nikolay Blinov, Andriy Kovalenko
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 Kovalenko
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.
Biophysical Journal|August 12, 2008
Hydration effects on the HET-s prion and amyloid-beta fibrillous aggregates, studied with three-dimensional molecular theory of solvationTakeshi Yamazaki, Nikolay Blinov, David Wishart, 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.
Journal of Chemical Theory and Computation|November 26, 2015
3D-RISM-Dock: A New Fragment-Based Drug Design ProtocolDragan Nikolić, Nikolay Blinov, David Wishart, et al.
Journal of Chemical Information and Modeling|December 30, 2014
Role of water in ligand binding to maltose-binding protein: insight from a new docking protocol based on the 3D-RISM-KH molecular theory of solvationWenJuan Huang, Nikolay Blinov, David S Wishart, et al.
The Journal of Physical Chemistry. B|December 23, 2010
Calculation of local water densities in biological systems: a comparison of molecular dynamics simulations and the 3D-RISM-KH molecular theory of solvationMartin C Stumpe, Nikolay Blinov, David Wishart, et al.
ACS Omega|August 29, 2019
Initial Structural Models of the Aβ42 Dimer from Replica Exchange Molecular Dynamics SimulationsNikolay Blinov, Massih Khorvash, David S Wishart, et al.
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