Perturbed Bound-State Poles in Potential Scattering. II

1968 ◽  
Vol 172 (5) ◽  
pp. 1849-1849
Author(s):  
Y. S. Kim ◽  
Kashyap V. Vasavada
2005 ◽  
Vol 20 (26) ◽  
pp. 1983-1989 ◽  
Author(s):  
B. GÖNÜL ◽  
M. KOÇAK

Recently developed time-independent bound-state perturbation theory is extended to treat the scattering domain. The changes in the partial wave phase shifts are derived explicitly and the results are compared with those of other methods.


1966 ◽  
Vol 150 (4) ◽  
pp. 1236-1240 ◽  
Author(s):  
Y. S. Kim ◽  
Kashyap V. Vasavada

1966 ◽  
Vol 142 (4) ◽  
pp. 1150-1153 ◽  
Author(s):  
Y. S. Kim

1962 ◽  
Vol 58 (2) ◽  
pp. 363-376 ◽  
Author(s):  
J. Underhill

In (l) Khuri has proved the validity of a dispersion relation for non-relativistic potential scattering. More precisely, he has shown that if the potential V(r) is central and satisfies: then the scattering amplitude f(k, τ) = M(E, τ) (where E = k2 is the energy) satisfies the following dispersion relation for fixed momentum transfer τ ≤ 2α: In (2), Rj(τ) is the (real) residue of the scattering amplitude at the bound state Ej and is the Fourier transform of the potential .


1992 ◽  
Vol 45 (3) ◽  
pp. 337 ◽  
Author(s):  
C William McCurdy

Until recently the principal barrier to the accurate theoretical description of electronic collisions with polyatomic molecules was the problem of scattering by a nonlocal potential which is arbitrarily asymmetric. The last five or six years have seen the development of numerical techniques capable of solving the potential scattering problem, and the first applications of methods for treating many-body aspects of collisions of electrons with polyatomic molecules are beginning to appear in the literature. We describe the complex Kohn method and the use, in scattering calculations, of methods for treating electronic correlation which are standard in bound-state quantum chemistry. As examples of the application of these ideas we present the results of calculations on electron scattering from CH4, SiH4 and C2H6. All of these molecules exhibit Ramsauer-Townsend minima at low impact energies which are entirely correlation effects.


1983 ◽  
Vol 36 (5) ◽  
pp. 601 ◽  
Author(s):  
H Pierre Noyes ◽  
James V Lindesay

By requiring the 'bound state' of particle and quantum to have the mass of the particle and be physically indistinguishable from the particle we derive fully covariant and unitary equations for particle-particle scattering; these reduce to the Lippmann-Schwinger equation for Yukawa potential scattering in the nonrelativistic kinematic region and provide a new definition of the 'nuclear potential'.


Author(s):  
John Trinickt ◽  
Howard White

The primary force of muscle contraction is thought to involve a change in the myosin head whilst attached to actin, the energy coming from ATP hydrolysis. This change in attached state could either be a conformational change in the head or an alteration in the binding angle made with actin. A considerable amount is known about one bound state, the so-called strongly attached state, which occurs in the presence of ADP or in the absence of nucleotide. In this state, which probably corresponds to the last attached state of the force-producing cycle, the angle between the long axis myosin head and the actin filament is roughly 45°. Details of other attached states before and during power production have been difficult to obtain because, even at very high protein concentration, the complex is almost completely dissociated by ATP. Electron micrographs of the complex in the presence of ATP have therefore been obtained only after chemically cross-linking myosin subfragment-1 (S1) to actin filaments to prevent dissociation. But it is unclear then whether the variability in attachment angle observed is due merely to the cross-link acting as a hinge.We have recently found low ionic-strength conditions under which, without resorting to cross-linking, a high fraction of S1 is bound to actin during steady state ATP hydrolysis. The structure of this complex is being studied by cryo-electron microscopy of hydrated specimens. Most advantages of frozen specimens over ambient temperature methods such as negative staining have already been documented. These include improved preservation and fixation rates and the ability to observe protein directly rather than a surrounding stain envelope. In the present experiments, hydrated specimens have the additional benefit that it is feasible to use protein concentrations roughly two orders of magnitude higher than in conventional specimens, thereby reducing dissociation of weakly bound complexes.


Author(s):  
Parth Sarthi Sen Gupta ◽  
Satyaranjan Biswal ◽  
Saroj Kumar Panda ◽  
Abhik Kumar Ray ◽  
Malay Kumar Rana

<p>While an FDA approved drug Ivermectin was reported to dramatically reduce the cell line of SARS-CoV-2 by ~5000 folds within 48 hours, the precise mechanism of action and the COVID-19 molecular target involved in interaction with this in-vitro effective drug are unknown yet. Among 12 different COVID-19 targets studied here, the RNA dependent RNA polymerase (RdRp) with RNA and Helicase NCB site show the strongest affinity to Ivermectin amounting -10.4 kcal/mol and -9.6 kcal/mol, respectively. Molecular dynamics of corresponding protein-drug complexes reveals that the drug bound state of RdRp with RNA has better structural stability than the Helicase NCB site, with MM/PBSA free energy of -135.2 kJ/mol, almost twice that of Helicase (-76.6 kJ/mol). The selectivity of Ivermectin to RdRp is triggered by a cooperative interaction of RNA-RdRp by ternary complex formation. Identification of the target and its interaction profile with Ivermectin can lead to more powerful drug designs for COVID-19 and experimental exploration. </p>


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