منابع مشابه
Comment on "Molecular selectivity in aquaporin channels studied by the 3D-RISM theory".
I a recent article, Phongphanphanee et al. present a study on the molecular selectivity of the water channel aquaporin-1 (AQP1) and of the aquaglyceroporin GlpF from E. coli. The authors apply the three-dimensional reference interaction site model (3D-RISM) theory, in order to compute distribution functions of a number of solutes within the channels, and, in a second step, derive potentials of ...
متن کاملLigand mapping on protein surfaces by the 3D-RISM theory: toward computational fragment-based drug design.
In line with the recent development of fragment-based drug design, a new computational method for mapping of small ligand molecules on protein surfaces is proposed. The method uses three-dimensional (3D) spatial distribution functions of the atomic sites of the ligand calculated using the molecular theory of solvation, known as the 3D reference interaction site model (3D-RISM) theory, to identi...
متن کامل3D-RISM-KH approach for biomolecular modeling at nanoscale: Thermodynamics of fibril formation and beyond
As an alternative to the conventional solvation models, we propose to use the three-dimensional molecular theory of solvation (3D-RISM-KH theory) as an essential part of a multiscale approach for nanomedical applications. Based on the rigorous statistical-mechanical foundation, this method provides a natural link between different levels of coarse-graining details in the multiscale description ...
متن کاملPrediction of Small Molecule Hydration Thermodynamics with Grid Cell Theory.
An efficient methodology has been developed to quantify water energetics by analysis of explicit solvent molecular simulations of organic and biomolecular systems. The approach, grid cell theory (GCT), relies on a discretization of the cell theory methodology on a three-dimensional grid to spatially resolve the density, enthalpy, and entropy of water molecules in the vicinity of solute(s) of in...
متن کاملthe analysis of the role of the speech acts theory in translating and dubbing hollywood films
از محوری ترین اثراتی که یک فیلم سینمایی ایجاد می کند دیالوگ هایی است که هنرپیش گان فیلم میگویند. به زعم یک فیلم ساز, یک شیوه متأثر نمودن مخاطب از اثر منظوره نیروی گفتارهای گوینده, مثل نیروی عاطفی, ترس آور, غم انگیز, هیجان انگیز و غیره, است. این مطالعه به بررسی این مسأله مبادرت کرده است که آیا نیروی فراگفتاری هنرپیش گان به مثابه ی اعمال گفتاری در پنج فیلم هالیوودی در نسخه های دوبله شده باز تولید...
15 صفحه اولذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Seibutsu Butsuri
سال: 2004
ISSN: 0582-4052,1347-4219
DOI: 10.2142/biophys.44.s209_4