Igor V. Polyakov

Часть публикаций из профиля, по году от новых к старым. Это не полный список последних работ автора; работы без года — в конце.

• Physics-Guided Machine Learning for Absorption Band Prediction of Fluorescent Proteins2026
• Comparative Molecular Dynamics Study of E- and Z-Biliverdin-IXα Binding to Human Serum Albumin2026
• High-resolution ro-vibrational analysis of HCFC-22: Deciphering ν 4 and 2 ν 6 bands of 12CH35ClF2 and ν 4 band of 13CH35ClF2 species2025
• Development and Research of a Robotic Complex of the Hexapod Type2025
• Mechanism for Nucleotidyl Transfer in LINE-1 ORF2p Revealed by QM/MM Simulations2025
• A Light-Induced Reaction with Oxygen Leads to Chromophore Decomposition and Irreversible Photobleaching in GFP-Type Proteins2015
• First-Principles Characterization of the Energy Landscape and Optical Spectra of Green Fluorescent Protein along the A→I→B Proton Transfer Route2013 · аннотациясвернуть

  Structures and optical spectra of the green fluorescent protein (GFP) forms along the proton transfer route A→I→B are characterized by first-principles calculations. We show that in the ground electronic state the…

• Potential Energy Landscape of the Electronic States of the GFP Chromophore in Different Protonation Forms: Electronic Transition Energies and Conical Intersections2010 · аннотациясвернуть

  We present the results of quantum chemical calculations of the transition energies and conical intersection points for the two lowest singlet electronic states of the green fluorescent protein chromophore,…