An efficient CDEM-based method to calculate full-scale fragment field of warhead

An Accurate and Efficient Method to Calculate the Error Statistics of Block-based Approximate Adders

Adders are key building blocks of many error-tolerant applications. Leveraging the application-level error tolerance, a number of approximate adders were proposed recently. Many of them belong to the category of block-based approximate adders. For approximate circuits, besides normal metrics such as area and delay, another important metric is the error measurement. Given the popularity of block...

Characterizing and finding full dimensional efficient facets of PPS with constant returns to scale technology

An NMR-Guided Screening Method for Selective Fragment Docking and Synthesis of a Warhead Inhibitor.

Selective hits for the glutaredoxin ortholog of Brucella melitensis are determined using STD NMR and verified by trNOE and (15)N-HSQC titration. The most promising hit, RK207, was docked into the target molecule using a scoring function to compare simulated poses to experimental data. After elucidating possible poses, the hit was further optimized into the lead compound by extension with an ele...

LINGO, an Efficient Holographic Text Based Method To Calculate Biophysical Properties and Intermolecular Similarities

SMILES strings are the most compact text based molecular representations. Implicitly they contain the information needed to compute all kinds of molecular structures and, thus, molecular properties derived from these structures. We show that this implicit information can be accessed directly at SMILES string level without the need to apply explicit time-consuming conversion of the SMILES string...

An Efficient Method to Calculate the Convolution Based Reaction Integral Using the Analytical Fourier Transform

A major step in the numerical solution of electromagnetic scattering problems involves the computation of the convolution based reaction integrals. In this paper a procedure based on the analytical Fourier transform is introduced which allows us to calculate the convolution-based reaction integrals in the spectral domain without evaluating any convolution products directly. A numerical evaluati...