Poster Presentations: Titles

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Research Topic
No.1 Molecular Computing
No.2 Molecular Recognition
No.3 Molecular Structure
No.5 Bioinformatics and Bio Computing
No.6 Genome Wide Experimental Data Analyses
No.7 Information and Computing Infrastructure for Drug Design and Toxicology
No.8 Disease Mechanism and Control Model
No.9 Mathematical Modeling & Simulation
No.10 Computational Drug Discovery
No.11 Emerging New Technology
Poster No. Title
P1-01 Comparison of Docking Programs Using Several Initial Ligand Conformations and Settings
P1-02 Biomolecular Computations on the Enantioselectivity of Lipase Enzymes Based on the Fragment Molecular Orbital Method
P1-03 Structural transitions in the CDRH3 region of the anti-dansyl monoclonal antibody by molecular dynamics simulations
P1-04 Dynamics Motions of G-Protein-Coupled Receptors Embedded in Lipid Bilayer@Membranes with Different Kinds of Molecular Components
P1-05 Molecular simulations of electrical conducting properties of artificial DNA duplexes using nonequilibrium Green's function coupled with DFT
P1-06 Assessment of the Biocompatibility of Polymeric Materials, Based on Free Energy Calculations Using Computational Chemistry
P1-07 Application of Free Energy Calculations at an Ultrahigh Temperature To Predict Molecular Properties at Room Temperature
P1-08 Acceleration of Fragment MO method by GPU
P1-09 A system for calculating gauge-invariant NMR shielding for ProteinDF
P1-10 Specific interactions between urokinase-type plasminogen activator and its receptor: fragment molecular orbital calculations
P1-11 In silico drug discovery at Chugai: Current status and future direction.
P1-12 Geometry optimization of CK2-ligand complexes using QM/MM calculations
P1-13 Ab initio MO study on weighted-average dipole moments of amino acids
P1-14 Secondary-structure design of proteins using improved backbone-torsion-energy terms
P1-15 Energy analysis of polyglutamine peptides by MM-GB/SA method
P1-16 Classical molecular dynamics and fragment molecular orbital study on the structure and electronic properties of small protein TrpCage
P1-17 Analyzing protein bioenergetics using 3D structural information
P2-01 A Novel Ligand Mapping Method Based on Molecular Liquid Theory: Toward Computational Fragment-Based Drug Design
P2-02 Use of amino acid composition to predict druggable concavity
P2-03 Identification of a novel chemical inhibitor for epidermal growth factor receptor by in silico virtual screening
P2-04 Molecular Interaction of Estrogen Receptor ƒ¿ in Fluctuating State Studied by Ab initio Fragment Molecular Orbital Method
P2-05 Specific interactions between aryl hydrocarbon receptor and dioxine: fragment molecular orbital calculations
P2-06 Specific interactions and binding free energies between thermolysin and dipeptide-like molecules: ab initio fragment MO calculations
P2-07 Specific interactions between lactose repressor protein and DNA affected by ligand binding: ab initio fragment molecular orbital calculations
P2-08 Enantiomeric Molecular Recognition of Barbitals in Agonist Binding Site of Nicotinic Acetylcholine Receptor
P2-09 A combined usage of docking simulation and enzyme inhibition experiment for information extraction
P2-10 Searching Ligand Binding Sites with the Atomic Density of a Single Ligand-Protein Complex Structure
P2-11 Theoretical study on the reaction path of covalent binding ligand to PPARƒÁ
P2-12 Effect of amino-acid mutation on specific interactions between AhR and dioxin: fragment molecular orbital calculations and reporter gene assay
P2-13 Reconsideration of the mechanisim of thymidine phosphorylase inhibitor: Implications for further drug design
P2-14 KCOMBU : a program for matching chemical structures using the build-up algorithm
P3-01 Development of the Biomolecular Modeling Environment for Quantum Chemical Calculations
P3-02 Calculational study of mass spectrometric fragmentation of fucosylated human milk oligosaccharides
P3-03 Structure determination of protein-protein complex by amino acid selective cross-saturation method
P3-04 Homology modeling and molecular dynamics simulation for antigen-antibody analysis.
P3-05 Anisotropic distribution analysis of hydrogen bonding pairs in proteins
P4-01 CADD Methodologies for Lead Optimization: Recent Advances
P4-02 Development of a lead discovery method using exhaustive chemical structure generation.
P4-03 Ligand-based analysis of new PAI-1 inhibitors by automated 3D-QSAR modeling tool MOE-AutoGPA
P4-04 Fragment-based de novo design of bioactive compounds by particle swarm optimization
P4-05 Lipophilicity of Suplatast Tosilate (IPD-1151T) as sulfonium p-toluenesulfonate derivatives
P4-06 Topological Combinatorial Classification of Biopolymer
P5-01 Alignment of protein pockets with a genetic algorithm
P5-02 Quantitative analysis tools for secondary structure trajectory result of protein molecular dynamics
P5-03 Docking Analysis of the Weak Interaction between Peptides and Receptor Protein BST-1
P5-04 Co-evolutionary analysis of cis-elements sequence and structure domain with an informatics approach
P5-05 Periodicity Detection Method for Small Sampled Time Series Data of Gene Expression Levels
P5-06 Bioinformatics analysis of Aig1l protein
P5-07 Detection of common pathways activated by anticancer drugs using regularized kernel canonical correlation
P5-08 MEDALS: METI Database portal for Life Science
P6-01 Okinawa Cutting-Edge Genome Project: progress of new-generation sequencer SOLiD4
P6-02 Metagenomic analysis of Dehalococcoides consortia that grow on cis-DCE using a second generation sequencer, Solid 3
P6-03 Analysis of Transcriptomes in Apicomplexa Parasites Using New Generation Sequencer
P6-05 Extension of DBTSS with SOLEXA sequences and analysis of bi-directional promoters
P7-01 Examining parameter selection to discover biomarker genes by machine learning
P7-02 Web based Controlled Substance Detection System.
P7-03 Prediction of drug elimination pathways based on pH-dependent properties in a random forest classification model
P7-04 Quantitative analysis of aggregation-solubility relationship by in-silico solubility prediction
P7-05 gCBI Work Plazah as a Platform for Pre-Competitive Collaboration Initiative II
P7-06 Selection of In-Silico Drug Screening Results for G-protein coupled receptors by Using Universal Active Probes
P7-07 Reconsideration of Conventional Compartment Model Equation for Orally Administered Drugs to Propose Alternative Model Equations
P7-08 Multi-profiling analysis of chemical effects with gene expression and phenotype information by using Bayesian networks
P8-01 AlzPathway: a comprehensive pathway database for gene expression analysis on Alzheimer disease
P8-02 Development of a database and ontology for pathogenic pathways in periodontitis
P9-01 Robustness analysis of the budding yeast cell cycle using an integrative mathematical model and gTOW experiment
P9-02 Structure of regulatory networks and dynamics of bio-molecules: Predicting unknown from known
P9-03 Conceptualization of Superconductivity and Computational Drug Discovery
P9-04 Estimation of the Input Image Using the Discrete Partial Data of the Differential Equations, the Initial Conditions and the Experimental Data of the Actual Observation Systems
P9-05 Synchronization of a reconstituted body clock in a test tube
P9-06 Elucidation of dynamics of Quorum Sensing of Pseudomonas aeruginosa
P9-07 Inverse Simulation on Pharmacokinetics Parameters using Method of Least Squares
P9-08 Single-cell level analysis of the adaptive cAMP response in Dictyostelium
P9-09 Simulation of human fetal erythrocyte metabolism using E-Cell system
P9-10 Simulation analysis of transition in embryonic ventricular myocyte from spontaneous pacemaker to working cell via switching relative activities of cellular ionic components
P9-11 A Computational Exploration into Possible Design of the Cardiomyocyte Membrane Excitation
P9-12 A global structure and evolutionary constraint of functional modules in the protein interaction network
P10-01 Identification of novel potential anti-biotics for tuberculosis by virtual screening
P10-02 Identification of a novel chemical inhibitor for VEGF receptor by virtual screening
P10-03 In Silico Screening of Inhibitors against PPI Targets
P10-04 Strategy for Structure-Based Peptide Design
P10-05 Medical and related application of NMR-metabolic profiling
P10-06 Development and Validation of System for Multidirectional Ligand-Based Searches (LAILAPS)
P10-07 Binding Free Energy Computation of Influenza Neuraminidase Inhibitors
P11-01 The associating mutant mouse lines with diseases using KEGG data.
P11-02 Towards a Translational Biomedical Informatics: i2b2 with Japanese Clinical Patients' Data