相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。Interaction of a Homologous Series of Amphiphiles with P-glycoprotein in a Membrane Environment-Contributions of Polar and Non-Polar Interactions
Maria Joao Moreno et al.
PHARMACEUTICS (2023)
MemCross: Accelerated Weight Histogram method to assess membrane permeability
Mehdi Benmameri et al.
BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES (2023)
Ligand's Partition to the Lipid Bilayer Should Be Accounted for When Estimating Their Affinity to Proteins
Maria Joao Moreno et al.
MOLECULES (2023)
Machine learning-driven multiscale modeling reveals lipid-dependent dynamics of RAS signaling proteins
Helgi I. Ingolfsson et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2022)
Modeling the Effect of Hydrophobicity on the Passive Permeation of Solutes across a Bacterial Model Membrane
Carla F. Sousa et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2022)
Stairway to Asymmetry: Five Steps to Lipid-Asymmetric Proteoliposomes
Marie Markones et al.
BIOPHYSICAL JOURNAL (2020)
Effect of dipole moment on amphiphile solubility and partition into liquid ordered and liquid disordered phases in lipid bilayers
Renato M. S. Cardoso et al.
BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES (2020)
Menthol Binding to the Human alpha 4 beta 2 Nicotinic Acetylcholine Receptor Facilitated by Its Strong Partitioning in the Membrane
Rezvan Shahoei et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2020)
Membrane-Dependent Binding and Entry Mechanism of Dopamine into Its Receptor
Fabio Lolicato et al.
ACS CHEMICAL NEUROSCIENCE (2020)
Effect of sterol structure on ordered membrane domain (raft) stability in symmetric and asymmetric vesicles
Johnna Wellman St Clair et al.
BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES (2019)
Molecular Dynamics Simulations of Membrane Permeability
Richard M. Venable et al.
CHEMICAL REVIEWS (2019)
Interaction of Bile Salts With Lipid Bilayers: An Atomistic Molecular Dynamics Study
Maria C. Neves et al.
FRONTIERS IN PHYSIOLOGY (2019)
Membrane Structure-Function Insights from Asymmetric Lipid Vesicles
Erwin London
ACCOUNTS OF CHEMICAL RESEARCH (2019)
MolMeDB: Molecules on Membranes Database
Jakub Juracka et al.
DATABASE-THE JOURNAL OF BIOLOGICAL DATABASES AND CURATION (2019)
Effect of Acyl Chain Length on the Rate of Phospholipid Flip-Flop and Intermembrane Transfer
Filipe M. Coreta-Gomes et al.
JOURNAL OF MEMBRANE BIOLOGY (2018)
Lipid Structure and Composition Control Consequences of Interleaflet Coupling in Asymmetric Vesicles
Qing Wang et al.
BIOPHYSICAL JOURNAL (2018)
Differential targeting of membrane lipid domains by caffeic acid and its ester derivatives
Hugo A. L. Filipe et al.
FREE RADICAL BIOLOGY AND MEDICINE (2018)
Quantitative Assessment of Methods Used To Obtain Rate Constants from Molecular Dynamics Simulations-Translocation of Cholesterol across Lipid Bilayers
Hugo A. L. Filipe et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2018)
Engineering Asymmetric Lipid Vesicles: Accurate and Convenient Control of the Outer Leaflet Lipid Composition
Marie Markones et al.
LANGMUIR (2018)
Preparation of asymmetric phospholipid vesicles for use as cell membrane models
Milka Doktorova et al.
NATURE PROTOCOLS (2018)
Structure-Kinetic Relationships of Passive Membrane Permeation from Multiscale Modeling
Callum J. Dickson et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2017)
Interaction of Bile Salts with Model Membranes Mimicking the Gastrointestinal Epithelium: A Study by Isothermal Titration Calorimetry
Filipe M. Coreta-Gornes et al.
LANGMUIR (2015)
Interaction of NBD-labelled fatty amines with liquid-ordered membranes: a combined molecular dynamics simulation and fluorescence spectroscopy study
Hugo A. L. Filipe et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2015)
Asymmetric Lipid Membranes: Towards More Realistic Model Systems
Drew Marquardt et al.
MEMBRANES (2015)
Benchmarking of Force Fields for Molecule-Membrane Interactions
Marketa Paloncyova et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2014)
How To Tackle the Issues in Free Energy Simulations of Long Amphiphiles Interacting with Lipid Membranes: Convergence and Local Membrane Deformations
Hugo A. L. Filipe et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2014)
Amphiphilic Drug-Like Molecules Accumulate in a Membrane below the Head Group Region
Marketa Paloncyova et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2014)
Rationalization of Reduced Penetration of Drugs through Ceramide Gel Phase Membrane
Marketa Paloncyova et al.
LANGMUIR (2014)
Beyond Overton's Rule: Quantitative Modeling of Passive Permeation through Tight Cell Monolayers
H. A. L. Filipe et al.
MOLECULAR PHARMACEUTICS (2014)
Passive Lipoidal Diffusion and Carrier-Mediated Cell Uptake Are Both Important Mechanisms of Membrane Permeation in Drug Disposition
Dennis Smith et al.
MOLECULAR PHARMACEUTICS (2014)
Stability and Stoichiometry of Bilayer Phospholipid-Cholesterol Complexes: Relationship to Cellular Sterol Distribution and Homeostasis
Yvonne Lange et al.
BIOCHEMISTRY (2013)
GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit
Sander Pronk et al.
BIOINFORMATICS (2013)
Accelerating Convergence in Molecular Dynamics Simulations of Solutes in Lipid Membranes by Conducting a Random Walk along the Bilayer Normal
Chris Neale et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)
How Slow Is the Transbilayer Diffusion (Flip-Flop) of Cholesterol?
Theodore L. Steck et al.
BIOPHYSICAL JOURNAL (2012)
Convergence of Free Energy Profile of Coumarin in Lipid Bilayer
Marketa Paloncyova et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2012)
Molecular simulation of rapid translocation of cholesterol, diacylglycerol, and ceramide in model raft and nonraft membranes
W. F. Drew Bennett et al.
JOURNAL OF LIPID RESEARCH (2012)
Kinetics and Thermodynamics of Chlorpromazine Interaction with Lipid Bilayers: Effect of Charge and Cholesterol
Patricia T. Martins et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2012)
Pharmaceutical drug transport: the issues and the implications that it is essentially carrier-mediated only
Douglas B. Kell et al.
DRUG DISCOVERY TODAY (2011)
Membrane Position of Ibuprofen Agrees with Suggested Access Path Entrance to Cytochrome P450 2C9 Active Site
Karel Berka et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2011)
Interaction of 7-Nitrobenz-2-oxa-1,3-diazol-4-yl-Labeled Fatty Amines with 1-Palmitoyl, 2-Oleoyl-sn-glycero-3-phosphocholine Bilayers: A Molecular Dynamics Study
Hugo A. L. Filipe et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2011)
Chain-Length Dependence of Insertion, Desorption, and Translocation of a Homologous Series of 7-Nitrobenz-2-oxa-1,3-diazol-4-yl-Labeled Aliphatic Amines in Membranes
Renato M. S. Cardoso et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2011)
Umbrella sampling
Johannes Kaestner
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2011)
g_wham-A Free Weighted Histogram Analysis Implementation Including Robust Error and Autocorrelation Estimates
Jochen S. Hub et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2010)
Lipidbook: A Public Repository for Force-Field Parameters Used in Membrane Simulations
Jan Domanski et al.
JOURNAL OF MEMBRANE BIOLOGY (2010)
Chain Length Effect on the Binding of Amphiphiles to Serum Albumin and to POPC Bilayers
R. M. S. Cardoso et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2010)
Cholesterol Flip-Flop: Insights from Free Energy Simulation Studies
Sunhwan Jo et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2010)
Coexistence of passive and carrier-mediated processes in drug transport
Kiyohiko Sugano et al.
NATURE REVIEWS DRUG DISCOVERY (2010)
Permeability of drugs and hormones through a lipid bilayer: insights from dual-resolution molecular dynamics
Mario Orsi et al.
SOFT MATTER (2010)
Mediterranean-Style Diet Effect on the Structural Properties of the Erythrocyte Cell Membrane of Hypertensive Patients The Prevencion con Dieta Mediterranea Study
Francisca Barcelo et al.
HYPERTENSION (2009)
Preparation and Properties of Asymmetric Vesicles That Mimic Cell Membranes EFFECT UPON LIPID RAFT FORMATION AND TRANSMEMBRANE HELIX ORIENTATION
Hui-Ting Cheng et al.
JOURNAL OF BIOLOGICAL CHEMISTRY (2009)
Thermodynamic Analysis of the Effect of Cholesterol on Dipalmitoylphosphatidylcholine Lipid Membranes
W. F. Drew Bennett et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)
Molecular View of Cholesterol Flip-Flop and Chemical Potential in Different Membrane Environments
W. F. Drew Bennett et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)
Cholesterol is found to reside in the center of a polyunsaturated lipid membrane
Thad A. Harroun et al.
BIOCHEMISTRY (2008)
Mass spectrometric analysis of lipid species of human circulating blood cells
Katharina Leidl et al.
BIOCHIMICA ET BIOPHYSICA ACTA-MOLECULAR AND CELL BIOLOGY OF LIPIDS (2008)
Influence of cis double-bond parametrization on lipid membrane properties: How seemingly insignificant details in force-field change even qualitative trends
Hector Martinez-Seara et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
GROMACS 4: Algorithms for highly efficient, load-balanced, and scalable molecular simulation
Berk Hess et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2008)
Passive transport of C60 fullerenes through a lipid membrane:: A molecular dynamics simulation study
Dmitry Bedrov et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2008)
Membrane potential and electrostatics of phospholipid bilayers with asymmetric transmembrane distribution of anionic lipids
Andrey A. Gurtovenko et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2008)
Membrane lipids: where they are and how they behave
Gerrit van Meer et al.
NATURE REVIEWS MOLECULAR CELL BIOLOGY (2008)
Kinetics and thermodynamics of the association of dehydroergosterol with lipid bilayer membranes
Luis M. B. B. Estronca et al.
BIOPHYSICAL JOURNAL (2007)
Lipid transmembrane asymmetry and intrinsic membrane potential: Two sides of the same coin
Andrey A. Gurtovenko et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2007)
Molecular dynamics simulations of SOPS and sphingomyelin bilayers containing cholesterol
Shreyas Y. Bhide et al.
BIOPHYSICAL JOURNAL (2007)
Canonical sampling through velocity rescaling
Giovanni Bussi et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Translocation of phospholipids and dithionite permeability in liquid-ordered and liquid-disordered membranes
Maria Joao Moreno et al.
BIOPHYSICAL JOURNAL (2006)
Cholesterol hydroxyl group is found to reside in the center of a polyunsaturated lipid membrane
TA Harroun et al.
BIOCHEMISTRY (2006)
Kinetics and thermodynamics of association of a fluorescent lysophospholipid derivative with lipid bilayers in liquid-ordered and liquid-disordered phases
JL Sampaio et al.
BIOPHYSICAL JOURNAL (2005)
2H-NMR study and molecular dynamics simulation of the location, alignment, and mobility of pyrene in POPC bilayers
B Hoff et al.
BIOPHYSICAL JOURNAL (2005)
Permeation of small molecules through a lipid bilayer: A computer simulation study
D Bemporad et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2004)
Kinetics and thermodynamics of association of a phospholipid derivative with lipid bilayers in liquid-disordered and liquid-ordered phases
MSC Abreu et al.
BIOPHYSICAL JOURNAL (2004)
Structure and dynamics of sphingomyelin bilayer:: Insight gained through systematic comparison to phosphatidylcholine
P Niemelä et al.
BIOPHYSICAL JOURNAL (2004)
Interaction of cholesterol with a docosahexaenoic acid-containing phosphatidylethanolamine: Trigger for microdomain/raft formation?
SR Shaikh et al.
BIOCHEMISTRY (2003)
Molecular dynamics simulations of phospholipid bilayers with cholesterol
C Hofsäss et al.
BIOPHYSICAL JOURNAL (2003)
Solubility of amphiphiles in membranes: influence of phase properties and amphiphile head group
LMBB Estronca et al.
BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS (2002)
Molecular dynamics simulations of stratum corneum lipid models:: fatty acids and cholesterol
M Höltje et al.
BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES (2001)
分享论文
