Binding energy decomposition per residue for WT and R248Q p53-DNA complexes at 300, 305 and 310 K.doi:10.1371/journal.pone.0027651.t002Barakat KhaledB. I. BilkissS. MariaT. Jack
Moreover, the energy components are calculated to identify which terms in the Hamiltonian making the state to be bound, and the root-mean-square (RMS) distances between quark pairs are also calculated to unravel the structure of the state. We first investigate the qqqq¯c system with all ...
Regarding the corrections used in the processing, it should be noted that we took into account the corrections that changed the SL(q,ωx) value in the q=0.875–1.250fm−1 range by more than 0.1%. Thus The contribution of the neutron electric form factor to SL(q,ωx) [18] is in...
QSite is a multi-scale simulation tool that utilizes the QM/MM method, which combines the principles of quantum mechanics and molecular mechanics. It is designed to accurately predict the molecular configurations, energetics, and the electronic structures of a reactive system through quantum chemical ...
However, the pleiotropic effects exerted by N/OFQ and NOP agonists may be viewed as an obstacle in terms of drug development. To overcome this, the novel concept of functional selectivity or biased agonism might be useful.10., 11. In fact, biased agonists are ligands able to stabilize diffe...
value for CSF - as such low mua/mus CSF properties are mostly for CSF in the inner part of the brain, but not representiative to those in the subarachnoid space. A few literature have shown that CSF in the subarachnoid space may have a higher mus' value, in the range between 0.16/...
In particular, the exact form of the corresponding energy–charge depen- dence can be obtained analytically (which simplifies the use of the well-known stability criteria), whereas the numerical solution is necessary only for obtaining the value of some universal dimensionless parameter (from this ...
Instead of building idents as completed cuts, a huge set of fragments with just the station name, strapline and other fx & random speech was assembled and then an algorithm used to link them in every possible permutation. In simple terms, that yields unexpected IDs by the bucketload to keep...
The recruiting mechanism, the binding characteristics, and the exact function of some of these proteins is still unknown. © 2011 Villanelo et al; licensee BioMed Central Ltd. This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creative...
The mode competition caused by both the temporal variation in mode coupling and the waveguide losses imposed limitations on laser performance in terms of pulse-to-pulse stability [665]. Operation of passively Q-switched waveguide lasers was first reported for ion-exchanged channel structures in an ...