Solvation and cavity occupation in biomolecules
نویسندگان
چکیده
منابع مشابه
the study of bright and surface discrete cavity solitons dynamics in saturable nonlinear media
امروزه سالیتون ها بعنوان امواج جایگزیده ای که تحت شرایط خاص بدون تغییر شکل در محیط منتشر می-شوند، زمینه مطالعات گسترده ای در حوزه اپتیک غیرخطی هستند. در این راستا توجه به پدیده پراش گسسته، که بعنوان عامل پهن شدگی باریکه نوری در آرایه ای از موجبرهای جفت شده، ظاهر می گردد، ضروری است، زیرا سالیتون های گسسته از خنثی شدن پراش گسسته در این سیستم ها بوسیله عوامل غیرخطی بوجود می آیند. گسستگی سیستم عامل...
Finesse and sensitivity gain in cavity-enhanced absorption spectroscopy of biomolecules in solution.
We describe a 'wet mirror' apparatus for cw cavity-enhanced absorption measurements with Bacteriochlorophyll a (BChla) in solution and show that it achieves the full sensitivity gain ( approximately 2.3 x 10(4)) afforded by the finesse (3.4 x 10(4)) and loss distribution of our optical resonator. This result provides an important proof-of-principle demonstration for solution-phase cavity-enhanc...
متن کاملO(NlogN) Continuous electrostatics method for fast calculation of solvation energies of biomolecules
We report the development of a new, fast, surface-based method for numerical calculations of the solvation energy of biomolecules with a large number of charged groups. The procedure scales linearly with the system size, both in time and memory requirements, produces explicit values for the reaction field potential and stable values of the polar energy within only a few percent error margin pra...
متن کاملPhase-field approach to implicit solvation of biomolecules with Coulomb-field approximation.
A phase-field variational implicit-solvent approach is developed for the solvation of charged molecules. The starting point of such an approach is the representation of a solute-solvent interface by a phase field that takes one value in the solute region and another in the solvent region, with a smooth transition from one to the other on a small transition layer. The minimization of an effectiv...
متن کاملImage Charge Methods for a Three-Dielectric-Layer Hybrid Solvation Model of Biomolecules.
This paper introduces a three dielectric layer hybrid solvation model for treating electrostatic interactions of biomolecules in solvents using the Poisson-Boltzmann equation. In this model, an interior spherical cavity will contain the solute and some explicit solvent molecules, and an intermediate buffer layer and an exterior layer contain the bulk solvent. A special dielectric permittivity p...
متن کاملذخیره 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: Biochimica et Biophysica Acta (BBA) - General Subjects
سال: 2015
ISSN: 0304-4165
DOI: 10.1016/j.bbagen.2014.09.020