نتایج جستجو برای: boltzmann surface area mm
تعداد نتایج: 1320478 فیلتر نتایج به سال:
Tyrosinase is a type-3 copper enzyme that is widely distributed in plants, fungi, insects, and mammals. Developing high potent inhibitors against tyrosinase is of great interest in diverse fields including tobacco curing, food processing, bio-insecticides development, cosmetic development, and human healthcare-related research. In the crystal structure of Agaricus bisporus mushroom tyrosinase, ...
Understanding the factors determining the binding of ligands to receptors in detail is essential for rational drug design. Here, the free energies of binding of the steroids progesterone (PRG) and 5β-androstane-3,17-dione (5AD) to the Diels-Alderase antibody 1E9, as well as the Leu(H47)Trp/Arg(H100)Trp 1E9 double mutant (1E9dm) and the corresponding single mutants, have been estimated and decom...
The ability to identify the site of a protein that can bind with high affinity to small, drug-like compounds has been an important goal in drug design. Sirtuin 2 (SIRT2), histone deacetylase protein family, plays a central role in the regulation of various pathways. Hence, identification of drug for SIRT2 has attracted great interest in the drug discovery community. To elucidate the molecular b...
Abstract Present research has been executed in Chaharmahal va Bakhtiary Province during 5 years in order to develop and establish hillside orchards using rainwater harvesting catchments. The region receives 300 mm of rainfall annually and has a moderate soil texture. Towards this goal, in a rangeland with a slope of 20 percent, microcatchments were made with 5 different treatments inc...
The measurement of the polarization of cosmic microwave background (CMB) provides considerable useful information about different physical phenomena at the last scattering surface. The polarization of CMB is due to Compton scattering. In this work, we consider the parity violation of Compton scattering. Then we insert the new amplitude into the quantum Boltzmann equation and show that the forwa...
In this work, a new ansatz is presented that combines molecular dynamics simulations with MM-PBSA (Molecular Mechanics Poisson-Boltzmann/surface area) to rank the binding affinities of 12 TIBO-like HIV-1 RT inhibitors. Encouraging results have been obtained not only for the relative binding free energies, but also for the absolute ones, which have a root-mean-square deviation of 1.0 kcal/mol (t...
BACKGROUND Regarding reconstruction surgery of the anterior cruciate ligament (ACL), there is still a debate whether to perform a single bundle (SB) or double bundle (DB) reconstruction. The purpose of this study was to analyze and compare the volume and surface area of femoral and tibial tunnels during transtibial SB versus transportal DB ACL reconstruction. METHODS A consecutive series of 2...
in this thesis protic and aprotic ammonium-based ionic liquids were synthesized and their surface tensions were measured in the range of 298-373k. the protics are alkyl ammonium-based ils with the carboxylate (formate, acetate, propionate) anion and aprotics are quaternary ammonium-based ils with bis(trifluoromethylsulfonyl)imide anion. capillary rise method was used for surface tension measure...
The nuclear magnetic resonance ~NMR! spectra of the I53/2 monovalent ions Na, Cl, K, and Br for NaCl and KBr dissolved into filamentous bacteriophage Pf1 solutions display line splittings and shifts consistent with an interaction between the nuclear spin and the electric field gradient produced by the Pf1 particles. The average electric field gradient and thus the spectral splitting for ions in...
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