… of parameter space. Aside from coefficients for the van der Waals interaction energy and
buried … of the electrostatic and nonelectrostatic solvation parameters, in conjunction with the …

… description of particles by means of topological features of empty space-time is applied
here … and electrostatic interaction energies. It is shown that the interaction energy is always …

… In the impact parameter space this propagator has the form (22). Let us discuss the physical
meaning of σ0 in more detail. For this purpose, let us calculate the zero angle scattering …

… parameters were iteratively adjusted so that the damage done to the structures was minimal.
Starting with initial parameters … Another Model Building and Energy Refinement force field), …

… does not further limit parameter space and is therefore not displayed in Figure 2 for clarity.
Both limits have been established from specific types of nuclear interaction models, and may …

… By using two parameterizations for the EoS of DE ωI,ωII, we obtain the parameter space
for different couplings, respectively, and we will show our results in the following sections. For …

… In the following, we present the different terms in our interaction energy and how they rely …
), where π-stacking interactions dominate the interaction energy. The discrepancies likely arise …

… domain (AD) definition to provide a measure of confidence for predictions for arbitrary query
compounds within a reference frame defined by a collective chemical and interaction space. …

… a high local interaction energy, and a technique based on local energy minimization would
… -range interaction energies between atoms, not covalently restricted to converge in space, …

A systematic study of the linear interaction energy (LIE) method and the possible dependence
of its parameterization on the force field and system (receptor binding site) is reported. We …