164 citations · 647 across the 10 of their papers we have counts for
10 papers
Defect engineering over anisotropic brookite towards substrate-specific photo-oxidation of alcohols
S. M. Hossein Hejazi, Mahdi Shahrezaei, Piotr Błoński +11
Generally adopted design strategies for enhancing the photocatalytic activity are aimed at tuning properties such as the visible light response, the exposed crystal facets, and the…
Graphene Lattices with Embedded Transition-Metal Atoms and Tunable Magnetic Anisotropy Energy: Implications for Spintronic Devices
Rostislav Langer, Kimmo Mustonen, Alexander Markevich +3
Doping of the graphene lattice with transition metal atoms resulting in high magnetic anisotropy energy (MAE) is an important goal of materials research owing to its potential appl…
Mechanistic insight into the limiting factors of graphene-based environmental sensors
Jean-Michel Guay, Ranjana Rautela, Samantha Scarfe +11
Graphene has demonstrated great promise for technological use, yet control over material growth and understanding of how material imperfections affect the performance of devices ar…
Folding of guanine quadruplex molecules -- funnel-like mechanism or kinetic partitioning? An overview from MD simulation studies
Jiří Šponer, Giovanni Bussi, Petr Stadlbauer +6
Background: Guanine quadruplexes (GQs) play vital roles in many cellular processes and are of much interest as drug targets. In contrast to the availability of many structural stud…
Computer Folding of RNA Tetraloops: Identification of Key Force Field Deficiencies
Petra Kührová, Robert B. Best, Sandro Bottaro +4
The computer-aided folding of biomolecules, particularly RNAs, is one of the most difficult challenges in computational structural biology. RNA tetraloops are fundamental RNA motif…
Hairpins Participating in Folding of Human Telomeric Sequence Quadruplexes Studied by Standard and T-REMD Simulations
Petr Stadlbauer, Petra Kührová, Pavel Banáš +5
DNA G-hairpins are potential key structures participating in folding of human telomeric guanine quadruplexes (GQ). We examined their properties by standard MD simulations starting…