Sentence examples for backbone potential from inspiring English sources

All simulations were carried out using the NAMD program [61] with the CHARMM27 [58], [58] force field including the CMAP backbone potential.

We thus generated a reference ensemble of the GB1 domain using an MD simulation with the CHARMM22 topology format and force-field [42] with a modified backbone potential [43] and a generalized Born solvent model [44].

Backbone potential describes the energy scores considering the interactions between atoms O3', C3', C4', C5', O5', P, OP1, OP2 and OP3 (36 atom types, 9 for each nucleotide).

We present here the development of a new PT forcefield following the AMBER approach, using the program ANTECHAMBER and ab initio calculations at the HF/6-31G* level of theory to assign partial charges and parameterize the critical backbone torsion potential.

Upon photolysis with cell and tissue compatible near infrared irradiation, the polymer undergoes a triggered cascade of cyclization reactions, leading to degradation of the polymer backbone with potential applications for controlled release in vivo within deep tissues.

The backbone torsional potentials for each of these force fields, as well as the previously characterized AMBER-94 and AMBER-99φ force fields, are shown in Figure 1, which highlights both the relative magnitude of the respective φ/ψ potentials and the locations of energetic minima and maxima.

The "refinement potentials" included the docking potentials, Xplor-NIH's RAMAchandran (backbone dihedral angle database) potential (23), and the HBDB (dynamic hydrogen bonding) potential (24).

However, the Pt surface is partially poisoned with CO-like species due to a rupture of the C3-carbon backbone in the potential range of hydrogen adsorption desorption.

It was expected that the PBA-a/PEO blends would be miscible since PBA-a possesses a great number of phenolic hydroxyls in the molecular backbone, which are potential to form the intermolecular hydrogen bonding interactions with oxygen atoms of PEO and thus would fulfill the miscibility of the blends.

First, for the given value of k the BLUE nodes are farthest from the sender node, which are also linked k-asymmetrically with another potential backbone node.

CD98hc consists of a 58-kDa polypeptide backbone with four potential N-glycosylation sites (Deves and Boyd 2000).