Dmitrii M. Nikolaev

A Comparative Study of Modern Homology Modeling Algorithms for Rhodopsin Structure Prediction

Dmitrii M. Nikolaev, Andrey A. Shtyrov, Maxim S. Panov et al. · ACS Omega · 2018 · 57 citations · Full text

Structural Bioinformatics, Biomolecular Structure Prediction, Molecular Biology +19

Photopharmacological compounds based on azobenzenes and azoheteroarenes: principles of molecular design, molecular modelling, and synthesis

Mikhail N. Ryazantsev, Daniil M. Strashkov, Dmitrii M. Nikolaev et al. · Russian Chemical Reviews · 2021 · 28 citations

Chemical Engineering, Medicinal Chemistry, Engineering +15

Simple Models to Study Spectral Properties of Microbial and Animal Rhodopsins: Evaluation of the Electrostatic Effect of Charged and Polar Residues on the First Absorption Band Maxima

Andrey A. Shtyrov, Dmitrii M. Nikolaev, Vladimir N. Mironov et al. · International Journal of Molecular Sciences · 2021 · 18 citations · Full text

Polar Residues, Protein Assembly, Bioelectrochemistry +18

Free Energy Computation for an Isomerizing Chromophore in a Molecular Cavity via the Average Solvent Electrostatic Configuration Model: Applications in Rhodopsin and Rhodopsin-Mimicking Systems

Dmitrii M. Nikolaev, Madushanka Manathunga, Yoelvis Orozco‐Gonzalez et al. · Journal of Chemical Theory and Computation · 2021 · 15 citations

An assessment of water placement algorithms in quantum mechanics/molecular mechanics modeling: the case of rhodopsins’ first spectral absorption band maxima

Dmitrii M. Nikolaev, Andrey A. Shtyrov, Andrey S. Mereshchenko et al. · Physical Chemistry Chemical Physics · 2020 · 14 citations