Date Speaker Title
Oct-18-2006Prof. Sue Jones (University of Sussex)Using structural motifs to identify novel DNA binding proteins
Jun-24-2007Dr. Akifumi Oda (Tohoku phamaceutical University) Three Roles of Scoring Functions in Protein-Ligand Docking
Jul-04-2007Prof. Toshiki Tanaka ( Nagoya Institute of Technology )ペプチドの設計を基盤とする機能性タンパク質の創製
Jul-29-2007Dr. Binbin LiuMolecular Modelling of Kv1 Channels
Dec-17-2007Dr Irilenia Nobeli
Mar-12-2008Dr. Akifumi Oda (Tohoku phamaceutical University) Effects of initial conformations of small ligands on CADD accuracies
Mar-26-2008Dr.Tokuriki (Weizmann Institute of Science)
Aug-03-2008Mieszko Lis (MIT)
Oct-08-2008Dr. Eric Hu (Scripps Research Institute)Self-assembled Nanocontainers via Computationally Designed Chemical Complementarity
Nov-19-2008Dr. Yasuteru Shigetaチトクロム酸化酵素のHis503-Asp91周りのプロトンの安定性
Nov-19-2008Dr. Katsumasa Kamiyaチトクロム酸化酵素のペプチド結合を介するプロトン移動の可能性
Feb-18-2009Dr. Toshiro Oda (RIKEN Harima Institute) The G- to F-actin transition
May-25-2009Prof. Gautam Basu (Bose Institute)Electrostatic discrimination between cognate and non-cognate partners in biology
Jun-10-2009Prof. Gautam Basu (Bose Institute)The Pro-Pro-Aromatic sequence motif: A new sequence motif where Pro-Pro cispeptide bonds are stabilized by CH-pi interaction
Nov-04-2009Prof. Isaak K. O. Cann (University of Illinois at Urbana-Champaign)Re-engineering of ssDNA-binding proteins by the archaeal subdomain Euryarchaeota
May-18-2011Nobutaka Komichi (Kyoto Prefectural University
May-25-2011Gertjan Bekker (University of Nijmegen)
Jun-01-2011Junichi Ito (University of Tokyo)PDB-wide discovery of similar protein ligand-binding sites by a fast neighbor search algorithm
Sep-25-2011Dr. Koji Umezawa (Waseda University)Free energy calculation with a coarse-grained model to investigate factors for fly-casting mechanism of intrinsically disordered protein pKID upon binding to KIX
Oct-05-2011Gertjan Bekker (University of Nijmegen)
Oct-12-2011Toru Saito (Okumura Lab. at Osaka Univ.)Theoretical studies on chemical reactions of diradical species
Oct-19-2011Keita Kanda (Okumura Lab. at Osaka Univ.)Calculation of Magnetic Properties and Spectroscopic Parameters of Manganese Clusters with Density Functional Theory Methods
Oct-26-2011Dr. Damien Hall (Tukuba Univ.)Semi-automated methods for simulation and measurement of amyloid fibre distributions obtained from transmission electron microscopy experiments.
Feb-01-2012Dr. Tohru Matsui (Kyoto University)A novel ab initio based scheme for estimating pKa values: From an amino acid to minimal proteins
Feb-08-2012Tadaaki Mashimo (JBIC)Cosgene on Tesla GPUs
Jun-06-2012Prof. Ly Thi Le (Ho Chi Minh International University)Computer-aided Drug Design against Influenza A Virus
Jul-18-2012Dr. Tatsuya Nishino (National Institute of Genetics,)Structure and function of eukaryotic kinetochore: identification of a novel histone-fold complex and role of ID regions
Aug-01-2012Belal Omar Alnajjar (University of Science, Malaysia)Target based screening of small molecules for potential neuraminidase inhibitors for the treatment of influenza
Aug-05-2012Dr. Kazuyoshi Ikeda (EMBL-EBI)ChEMBLの概要と創薬標的探索への活用
Sep-05-2012Nobuhiro Shirai (Kikuchi Lab. Osaka Univ.)The possible advantage of structural disorder of intrinsically disordered proteins in the new type of signaling mechanism
Oct-17-2012Prof. Chandra Bajaj (University of Texas at Austin)Molecular Docking and Assembly
Nov-14-2012Prof. Gautam Basu (Bose Institute)Glycine rescue of β-sheets from cis proline
Dec-12-2012Dr. Koji Umezawa (Waseda Univ.)Developing two-bead coarse-grained model to simulate protein-protein association
Jan-30-2013Dr Ryohei .Harada (RIKEN Advanced Institute for Computational Science)Multi-Scale Free Energy Landscape calculation method (MSFEL) by combination of coarse-grained and all-atom models and applications of the MSFEL for folding studies of mini-proteins
Mar-06-2013Dr. Mitsuo Shoji (Tsukuba Univ.)Computational Bioscience with Supercomputers
Mar-20-2013Dr. Jinzen Ikebe (Japan Atomic Energy Agency)Adaptive lambda square dynamics simulation: an efficient conformational sampling method for biomolecule
Apr-24-2013Tsuyoshi Terakawa (Takada Lab. Kyoto Univ.)Specific DNA sequence search and recognition mechanism of transcription factor p53: Coarse-grained simulation study
Jul-10-2013Dr. Moritsugu (Yokohama city Univ.)Funnel energy landscape of protein-protein interactions
Sep-04-2013Dr. Keisuke Saito (Osaka University)Proton Transfer Mechanisms in Photosystem II: Quinone Reduction and Tyrosine Radical Formation