Dasatinib is a tyrosine kinase inhibitor (TKI) that is used to treat chronic myeloid leukemia and in the management of ulcerative colitis (UC) and to provide appropriate results in treatment. Dasatinib is significantly higher and faster than full cytogenetic and large molecular responses as compared to imatinib. In the recent study, using the NMR data, the frequency and thermochemical propertie...

this study investigates propagation of mode i crack in b70 pre-stressed concrete sleepers by fracture mechanics approach. a new experimental analysis is done for notched b70 pre-stressed concrete sleepers with replica test and image analysis. a scanning electron microscope test (sem) and an image analysis are applied for the replica test in order to determine crack length and crack mouth openin...

We discuss hybrid quantum-mechanics/molecular-mechanics (QM/MM) and quantum mechanics/quantum mechanics (QM/QM) generalizations to our recently developed quantum wavepacket ab initio molecular dynamics methodology for simultaneous dynamics of electrons and nuclei. The approach is a synergy between a quantum wavepacket dynamics, ab initio molecular dynamics, and the ONIOM scheme. We utilize this...

The conformation o f the two algal pheromones ectocarpene (1) and multifidene (2) was studied by the active analogue approach using molecular mechanics calculations within the software package SYBYL. A common conformation for both pherom ones and all active analogues was filtered out by superpositionand energy minimizing procedures starting from crystallographic data of the Cambridge Structural...

A hybrid approach is described, which combines stochastic classical molecular dynamics and rst principles Density Functional theory to model the atomic and electronic structure of large molecular and solid-state systems. The stochastic molecular dynamics using Generalized Simulated Annealing (GSA) is based on the nonextensive statistical mechanics and thermodynamics. Examples are given of appli...

Dasatinib is a tyrosine kinase inhibitor (TKI) that is used to treat chronic myeloid leukemiaand in the management of ulcerative colitis (UC) and to provide appropriate results in treatment. Dasatinib is significantly higher and faster than full cytogenetic and large molecular responses as compared to imatinib. In the recent study, using the NMR data, thermochemical properties of the dasa...

most reservoir fluids contain heavy paraffinic compounds that may precipitate as a solid or solid like material called wax if the fluid is cooled down. wax precipitation is a phenomenon of considerable importance in oil industry. an increase in aggregation results in enhanced oil viscosity. this however causes significant negative effects on production, transportation and processing of crude oi...