Cargando…

Parametrization of the molecular free energy surface density (MolFESD) for different solvents and brain-blood barrier partitioning

Detalles Bibliográficos
Autores principales:	Zerara, Mohamed, Kretschmer, R, Exner, Thomas E, Brickmann, J
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	BioMed Central 2008
Materias:	Poster Presentation
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4236292/ http://dx.doi.org/10.1186/1752-153X-2-S1-P20

Ejemplares similares

FESD: a Functional Element SNPs Database in human
por: Kang, Hyo Jin, et al.
Publicado: (2005)

FESD: a Functional Element SNPs Database in human
por: Kang, Hyo Jin, et al.
Publicado: (2005)

Parametric and kinetic study of solvent-free synthesis of solketal using ion exchange resin
por: RAMBHIA, Dheer A., et al.
Publicado: (2022)

Descriptors for Cyclooctasulfur: Estimation of Water–Solvent Partition Coefficients, Solubilities in Solvents, and Physicochemical Properties
por: Abraham, Michael H., et al.
Publicado: (2018)

Solvent-Free Fabrication of Thick Electrodes in Thermoplastic Binders for High Energy Density Lithium-Ion Batteries
por: Kim, Han-Min, et al.
Publicado: (2022)

Improvements in GROMACS plugin for PyMOL including implicit solvent simulations and displaying results of PCA analysis
por: Makarewicz, Tomasz, et al.
Publicado: (2016)

Free-Form Surface Partitioning and Simulation Verification Based on Surface Curvature
por: Liu, Hongwei, et al.
Publicado: (2022)

Parametric surfaces of least H-energy in a Riemannian manifold
por: Duzaar, F, et al.
Publicado: (1997)

Decachlorocyclopentasilanes coordinated by pairs of chloride anions, with different cations, but the same solvent molecules
por: Moxter, Maximilian, et al.
Publicado: (2017)

The mouse skin carcinogenicity of cigarette smoke condensate: fractionated by solvent partition methods.
por: Whitehead, J. K., et al.
Publicado: (1969)

Using water–solvent systems to estimate in vivo blood–tissue partition coefficients
por: Derricott, Caitlin E., et al.
Publicado: (2015)

Fine Tuning the Energy Barrier of Molecular Nanomagnets via Lattice Solvent Molecules
por: Liu, Cai-Ming, et al.
Publicado: (2017)

Calculating the absolute binding free energy of the insulin dimer in an explicit solvent
por: Gong, Qiankun, et al.
Publicado: (2020)

Free energy and enthalpy data of neutral and protonated clusters in the solvent phase
por: Malloum, Alhadji, et al.
Publicado: (2021)

Accelerating Solvent Dynamics with Replica Exchange for Improved Free Energy Sampling
por: Darkins, Robert, et al.
Publicado: (2023)

Effect of Atomic Charges on Octanol–Water Partition Coefficient Using Alchemical Free Energy Calculation
por: Ogata, Koji, et al.
Publicado: (2018)

Materials Screening by the Descriptor G(max)(η): The Free-Energy Span Model in Electrocatalysis
por: Razzaq, Samad, et al.
Publicado: (2023)

Anticonvulsant potential of ethanol extracts and their solvent partitioned fractions from Flemingia strobilifera root
por: Gahlot, Kavita, et al.
Publicado: (2013)

MolBook UNIPI—Create, Manage, Analyze, and Share Your Chemical Data for Free
por: Galati, Salvatore, et al.
Publicado: (2023)

Parametric Analysis of Orthopedic Screws in Relation to Bone Density
por: Zanetti, Elisabetta M, et al.
Publicado: (2009)

Partitioning of excess mortality in population-based cancer patient survival studies using flexible parametric survival models
por: Eloranta, Sandra, et al.
Publicado: (2012)

Model-based Recursive Partitioning for Survival of Iranian Female Breast Cancer Patients: Comparing with Parametric Survival Models
por: SAFE, Mozhgan, et al.
Publicado: (2017)

Free Energy, Enthalpy and Entropy from Implicit Solvent End-Point Simulations
por: Fogolari, Federico, et al.
Publicado: (2018)

Partition of energy for a dissipative quantum oscillator
por: Bialas, P., et al.
Publicado: (2018)

Dietary Energy Partition: The Central Role of Glucose
por: Remesar, Xavier, et al.
Publicado: (2020)

Architecture of broiler breeder energy partitioning models
por: Afrouziyeh, Mohammad, et al.
Publicado: (2021)

Impact of different partitioned solvents on chemical composition and bioavailability of Sasa quelpaertensis Nakai leaf extract
por: Nakamura, Masaya, et al.
Publicado: (2016)

Surface energy partitioning and evapotranspiration in a Pinus tabuliformis plantation in Northeast China
por: Gao, Xiang, et al.
Publicado: (2023)

Overcharging and Free Energy Barriers for Equally Charged Surfaces Immersed in Salt Solutions
por: Stenberg, Samuel, et al.
Publicado: (2021)

Crystal and molecular structure of aflatrem
por: Lenta, Bruno N., et al.
Publicado: (2015)

Hirshfeld atom like refinement with alternative electron density partitions
por: Chodkiewicz, Michał Leszek, et al.
Publicado: (2020)

Partition-Based Point Cloud Completion Network with Density Refinement
por: Li, Jianxin, et al.
Publicado: (2023)

Computational scheme for pH‐dependent binding free energy calculation with explicit solvent
por: Lee, Juyong, et al.
Publicado: (2015)

Delfos: deep learning model for prediction of solvation free energies in generic organic solvents
por: Lim, Hyuntae, et al.
Publicado: (2019)

Why Solvent Response Contributions to Solvation Free Energies Are Compatible with Ben-Naim’s Theorem
por: Heinz, Leonard P., et al.
Publicado: (2023)

Efficient Computation of Free Energy Surfaces of Diels–Alder Reactions in Explicit Solvent at Ab Initio QM/MM Level
por: Li, Pengfei, et al.
Publicado: (2018)

Solvation free energies and partition coefficients with the coarse-grained and hybrid all-atom/coarse-grained MARTINI models
por: Genheden, Samuel
Publicado: (2017)

Relook on the Linear Free Energy Relationships Describing the Partitioning Behavior of Diverse Chemicals for Polyethylene Water Passive Samplers
por: Khawar, Muhammad Irfan, et al.
Publicado: (2021)

Nonlocal pseudopotential energy density functional for orbital-free density functional theory
por: Xu, Qiang, et al.
Publicado: (2022)

Regge parametrization for low-energy $pi N$ scattering
por: Minkowski, Peter, et al.
Publicado: (1971)

Cannot write session to /tmp/vufind_sessions/sess_esa91dnmq88fem6e52qrckah70