Energy landscapes for proteins: From single funnels to multifunctional systems
This report advances the hypothesis that multifunctional systems may be associated with
multifunnel potential and free energy landscapes, with particular focus on biomolecules. It …
multifunnel potential and free energy landscapes, with particular focus on biomolecules. It …
Improvements to the ABSINTH force field for proteins based on experimentally derived amino acid specific backbone conformational statistics
We present an improved version of the ABSINTH implicit solvation model and force field
paradigm (termed ABSINTH-C) by incorporating a grid-based term that bootstraps against …
paradigm (termed ABSINTH-C) by incorporating a grid-based term that bootstraps against …
Exposing the Nucleation Site of Alpha Helix Folding: A Joint Experimental and Simulation Study
α-helices being the most common secondary structures found ubiquitously in proteins, have
been studied extensively for elucidating its folding dynamics and mechanism. In addition …
been studied extensively for elucidating its folding dynamics and mechanism. In addition …
Energetic Self-Folding Mechanism in α-Helices
A novel energetic route driving the folding of a polyalanine peptide from an extended
conformation to its α-helix native conformation is described, supported by a new method to …
conformation to its α-helix native conformation is described, supported by a new method to …
Kinetic pathway analysis of an α-helix in two protonation states: Direct observation and optimal dimensionality reduction
GS Jas, EW Childs, K Kuczera - The Journal of chemical physics, 2019 - pubs.aip.org
Thermodynamically stable conformers of secondary structural elements make a stable
tertiary/quaternary structure that performs its proper biological function efficiently. Formation …
tertiary/quaternary structure that performs its proper biological function efficiently. Formation …
[PDF][PDF] Simulations of protein thermodynamics and structures with the PRIME20 model
A Böker - 2019 - opendata.uni-halle.de
At the time of writing, the worldwide Protein Data Bank [1, 22, 23, 227] contains about 140
000 entries, coordinate files of proteins or protein segments whose folded structure has …
000 entries, coordinate files of proteins or protein segments whose folded structure has …
Theta-Channel Emitters for Nano-Electrospray and Mass Spectrometry
A Radionova - 2019 - researchspace.auckland.ac.nz
Theta nano-electrospray ionization (nESI) is a new technique used in chemical and
biological analysis. Interfaced with a Fourier transform-ion cyclotron resonance (FT-ICR) …
biological analysis. Interfaced with a Fourier transform-ion cyclotron resonance (FT-ICR) …