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Attributs	Valeurs
type	work Issue
Is Part Of	http://hub.abes.fr/acs/periodical/jcisd8/2005/volume_45
has manifestation of work	http://hub.abes.fr/acs/periodical/jcisd8/2005/volume_45/issue_6/m/print http://hub.abes.fr/acs/periodical/jcisd8/2005/volume_45/issue_6/m/web
Date Copyrighted	2005
Rights	Copyright © 2005 American Chemical Society
issue	6
Rights Holder	American Chemical Society
is Is Part Of of	Development and Validation of Empirical Force Field Parameters for Netropsin QSAR Model for Predicting Pesticide Aquatic Toxicity Prediction of Properties from Simulations: A Re-examination with Modern StatisticalMethods Molecular Dynamics Integration Meets Standard Theory of Molecular Vibrations Membrane Switch Hypothesis. 1. Cell Density Influences Lateral Domain Structure ofTumor Cell Membranes Biomedical Simulation of Heat Transfer in a Human Heart Theoretical Study of Changes in π-Electron Delocalization in the Analogues of anortho-Hydroxy Schiff Base When the Proton Is Replaced with Li+ or BeH+ High-Density Hydration Layer of Lysozymes: Molecular Dynamics Decomposition ofSolution Scattering Data Ligand-Based Molecular Modeling Study on a Chemically Diverse Series ofCholecystokinin-B/Gastrin Receptor Antagonists: Generation of Predictive Model Prediction of the Rodent Carcinogenicity of 60 Pesticides by the DEREKfW ExpertSystem Detection of Hydrogen Atom Adduct of Spin-Trap DEPMPO. The Relevance for Studiesof Biological Systems Shape and Size of Giant Unilamellar Phospholipid Vesicles Containing Cardiolipin Improving the Quality of 3D-QSAR by Using Flexible-Ligand Receptor Models Factors Affecting d-Block Metal−Ligand Bond Lengths: Toward an Automated Libraryof Molecular Geometry for Metal Complexes Considerations in Compound Database Preparation“Hidden” Impact on VirtualScreening Results Influence of Fluctuations in Actin Structure on Myosin V Step Size Entrapment of a Weak Polyanion and H+/Na+ Exchange in Confined PolyelectrolyteMicrocapsules Modeling of the Spread of an Effluent and the Overturning Length Scale near anUnderwater Source in the Northern Adriatic Anatomy of Fingerprint Search Calculations on Structurally Diverse Sets ofActive Compounds Virtual Hydrocarbon and Combinatorial Databases for Use with CAVEAT Investigation of DNA-Binding Properties of an Aminoglycoside-Polyamine Library UsingQuantitative Structure−Activity Relationship (QSAR) Models In Silico Footprinting of Ligands Binding to the Minor Groove of DNA Reaction between Ellagic Acid and an Ultimate Carcinogen Modeling of Cyclin-Dependent Kinase Inhibition by 1H-Pyrazolo[3,4-d]PyrimidineDerivatives Using Artificial Neural Network Ensembles Comparing the Performance of FLUFF-BALL to SEAL-CoMFA with a Large DiverseEstrogen Data Set: From Relevant Superpositions to Solid Predictions Blood Clot Dissolution Dynamics Simulation during Thrombolytic Therapy Mathematical Modeling of the Relation between Myosin Phosphorylation and StressDevelopment in Smooth Muscles Study of the Effect of Ion Channel Modulators on Photosynthetic Oxygen Evolution Electronic Coupling Effects on Photoinduced Electron Transfer inCarotene−Porphyrin−Fullerene Triads Detected by Time-Resolved EPR A Perspective on the Slow Vacuolar Channel in Vacuoles from Higher Plant Cells Parallelizing a Molecular Dynamics Algorithm on a Multiprocessor Workstation UsingOpenMP Topology-Aided Molecular Design: The Platonic Molecules of Genera 0 to 3 Studying the Explanatory Capacity of Artificial Neural Networks for UnderstandingEnvironmental Chemical Quantitative Structure−Activity Relationship Models Identifying Biologically Active Compound Classes Using Phenotypic Screening Data andSampling Statistics Probabilistic Kinetic Model of Slow Oxidation of Low-Density Lipoprotein. 3.Hydroperoxide-Free Initiation Metabotropic Glutamate Receptor-Mediated Currents at the Climbing Fiber to PurkinjeCell Synapse Variable Selection and Interpretation in Structure−Affinity Correlation Modeling ofEstrogen Receptor Binders Resolved Fluorescence Emission Spectra of PRODAN in Ethanol/Buffer Solvents The Influence of Anisotropic Membrane Inclusions on Curvature Elastic Properties ofLipid Membranes Effects of 5-Fluorouracil on Erythrocytes in Relation to Its Cardiotoxicity: MembraneStructure and Functioning Mathematical Modeling of the Myosin Light Chain Kinase Activation GISAXS View of Vanadium/Cerium Oxide Thin Films and Influence of LithiumIntercalation Nano-to-Microscale Mechanical Switches and Fuses Mediate Adhesive Contacts betweenLeukocytes and the Endothelium Chirality of Toroidal Molecular Graphs Structure-Based Classification of Chemical Reactions without Assignment of ReactionCenters Novel Statistical Approach for Primary High-Throughput Screening Hit Selection The Regional Biophysics Meeting March 16−20, 2005, Zreče, Slovenia ‘Inductive' Charges on Atoms in Proteins: Comparative Docking with the ExtendedSteroid Benchmark Set and Discovery of a Novel SHBG Ligand Supervised Self-Organizing Maps in Drug Discovery. 1. Robust Behavior withOverdetermined Data Sets Speeding Up a Genetic Algorithm for EPR-Based Spin Label Characterization ofBiosystem Complexity Staphylococcus aureus Bicomponent γ-Hemolysins, HlgA, HlgB, and HlgC, Can FormMixed Pores Containing All Components Complex Kinetics of the Electron Transfer between the Photoactive Redox Label TUPSand the Heme of Cytochrome c Membrane Switch Hypothesis. 2. Domain Structure of Phagocytes in Horses withRecurrent Airway Obstruction Receptor Occupancy on an Ellipsoidal Cell in the Presence of a Point Source of aChemoattractant Determination of Partition Coefficient of Spin Probe between Different Lipid MembranePhases Lead Validation and SAR Development via Chemical Similarity Searching; Applicationto Compounds Targeting the pY+3 Site of the SH2 Domain of p56lck Exploring the Local Conformational Space of a Membrane Protein by Site-DirectedSpin Labeling Effect of Lysine-28 Side-Chain Acetylation on the Nanomechanical Behavior ofAlzheimer Amyloid β25−35 Fibrils McQSAR: A Multiconformational Quantitative Structure−Activity Relationship EngineDriven by Genetic Algorithms Symplectic Molecular Dynamics Simulations on Specially Designed Parallel Computers

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