The great power of protein crystallography to reveal biological structure is often limited by the tremendous effort required to produce suitable crystals. A hybrid crystal growth predictive model is presented that combines both experimental and sequence-derived data from target proteins, including novel variables derived from physico-chemical characterization such as R(30), the ratio between a ...

A protein-protein interface (PPI) is defined by a pair of regions of two interacting protein molecules that are linked by non-covalent bonds. Recognition of conserved 3D patterns of physico-chemical interactions may suggest their importance for the function as well as for the stability and formation of the protein-protein complex. It may assist in discovery of new drug leads that target these i...

The present review assesses the potential of the Phaseolus vulgaris a-amylase inhibitor isoform 1 (a-AI1) starch blockers as a widely used remedy against obesity and diabetes. Consumption of the a-amylase inhibitor causes marginal intraluminal a-amylase activity facilitated by the inhibitor’s appropriate structural, physico-chemical and functional properties. As a result there is decreased post...

Sir: Protein geranylgeranylation of small GTP-binding proteins, such as Rho, Rac, Cdc42 and Rab1), is essential for the function of the modified proteins. Protein geranylgeranylation is a key target for chemotherapeutic intervention in a number of diseases. Because geranylgeranyl diphosphate synthase (GGPP synthase)2,3) is involved in a pathway for protein geranylgeranylation, we screened an in...

Several petroleum pitches have been prepared by thermal treatment of various petroleum-derived residues such as clarified oil, aromatic extract and pyrolysis tars. These pitches were characterized physico-chemically (softening point, coking value, QI, & TI) and instrumentally (NMR) and compared. Attempts have been made to correlate physicochemical properties of petroleum residues and pitches wi...

Construction and physico-chemical behavior of DNA three way junction (3WJ) functionalized by protein-like residues (imidazole, alcohol and carboxylic acid) at unpaired positions at the core is described. One 5'-C(S)-propargyl-thymidine nucleotide was specifically incorporated on each strand to react through a post synthetic CuACC reaction with either protected imidazolyl-, hydroxyl- or carboxyl...

The paper reports the results of a MD study heating and melting process Au nanoparticles. A physico-chemical isomerization-like model step accounts for structural, thermodynamic diffusion results, trends interrelations.

A novel method for the in situ generation of catalytically active small metal nanoparticles, by anion extrusion on a parent porous copper chloropyrophosphate framework, has been developed to generate gold, platinum and palladium nanoparticles for sustainable catalytic oxidations using molecular oxygen as the oxidant. Transmission electron microscopy coupled with detailed structural and physico-...