Quantum information theoretic approach to the mind–brain problem

DD Georgiev - Progress in Biophysics and Molecular Biology, 2020 - Elsevier
The brain is composed of electrically excitable neuronal networks regulated by the activity of
voltage-gated ion channels. Further portraying the molecular composition of the brain …

Interaction of Na+, K+, Mg2+ and Ca2+ counter cations with RNA

SK Kolev, PS Petkov, MA Rangelov, DV Trifonov… - Metallomics, 2018 - academic.oup.com
Alkaline and alkaline earth ions, namely Na+, K+, Mg2+ and Ca2+, are critical for the
stability, proper folding and functioning of RNA. Moreover, those metal ions help to facilitate …

Unraveling Mg2+–RNA binding with atomistic molecular dynamics

RA Cunha, G Bussi - Rna, 2017 - rnajournal.cshlp.org
Interaction with divalent cations is of paramount importance for RNA structural stability and
function. We report here a detailed molecular dynamics study of all the possible binding …

On the quantum dynamics of Davydov solitons in protein α-helices

DD Georgiev, JF Glazebrook - Physica A: Statistical Mechanics and its …, 2019 - Elsevier
The transport of energy inside protein α-helices is studied by deriving a system of quantum
equations of motion from the Davydov Hamiltonian with the use of the Schrödinger equation …

An introduction to biomolecular simulations and docking

C Mura, CE McAnany - Molecular Simulation, 2014 - Taylor & Francis
The biomolecules in and around a living cell–proteins, nucleic acids, lipids and
carbohydrates–continuously sample myriad conformational states that are thermally …

Launching of Davydov solitons in protein α-helix spines

DD Georgiev, JF Glazebrook - Physica E: Low-dimensional Systems and …, 2020 - Elsevier
The biological order provided by α-helical secondary protein structures is an important
resource exploitable by living organisms for increasing the efficiency of energy transport. In …

Computational capacity of pyramidal neurons in the cerebral cortex

DD Georgiev, SK Kolev, E Cohen, JF Glazebrook - Brain Research, 2020 - Elsevier
The electric activities of cortical pyramidal neurons are supported by structurally stable,
morphologically complex axo-dendritic trees. Anatomical differences between axons and …

Untemplated nonenzymatic polymerization of 3′, 5′ cGMP: a plausible route to 3′, 5′-linked oligonucleotides in primordia

JE Sponer, J Sponer, A Giorgi, E Di Mauro… - The Journal of …, 2015 - ACS Publications
The high-energy 3′, 5′ phosphodiester linkages conserved in 3′, 5′ cyclic GMPs offer a
genuine solution for monomer activation required by the transphosphorylation reactions that …

Sodium and Magnesium Ion Location at the Backbone and at the Nucleobase of RNA: Ab Initio Molecular Dynamics in Water Solution

SK Kolev, P St. Petkov, TI Milenov, GN Vayssilov - ACS omega, 2022 - ACS Publications
The interactions between Na+ or Mg2+ ions with different parts of single-stranded RNA
molecules, namely, the oxygen atoms from the phosphate groups or the guanine base, in …

First-principles study of the adsorption and depolymerization mechanisms of sodium silicate on iron surfaces at high temperature

NV Tran, AK Tieu, H Zhu, HTT Ta, TD Ta… - The Journal of Physical …, 2018 - ACS Publications
Silicate glasses are potential materials for lubrication at elevated temperature because of
their exceptional thermal stability, low cost, and environmentally friendly properties …