| 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 α 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 PPARγ |
| 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 |
| P6-04 |
CELLPEDIA: COMPREHENSIVE HUMAN CELL DATABASE TOWARD CELL DIFFERENTIATION ANALYSIS |
| 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 |
“CBI Work Plaza” 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 |