Plese chech the newest details in Ritsumeikan University Researcher Database https://research-db.ritsumei.ac.jp/rithp/k03/resid/S000170?lang=en Curriculum Vitae 1 Personal Information 2 Education 3 Employment History 4 Professional Societies & Activities 5 Teaching & PhD Supervision 6 Research grants 7 Publications 1 Personal Information Name: Takuya Takahashi Address: Computational Structural Biology Laboratory Department ofBioscience and BioInformatics, College of Life Sciences, Ritsumeikan University 1-1-1, Noji-Higashi, Kusatsu, 525-8577, Shiga-ken, JAPAN Tel: +81-77-561-5077 Fax: +81-77-561-2659 E-mail: tkhs at sk Place of Birth: Tokyo -Japan Date of Birth: 14 July, 1962 Present Employment: Associate Proffessor, Ritsumeikan University 2 Education B.Sc. in Physics, The University of Tokyo, Tokyo, 1985 Ph.D. in Physics, The University of Tokyo, Tokyo, 1991 3 Employment History Proffessor, Ritsumeikan University Since 1 April 2010 Associate Proffessor, Ritsumeikan University 1 April 2003 - March 2010 Research Associate, RCCS, ORION 1 February 2001 - March 2003 Research Associate, NIPS, ORION September 1997 - February 2001 Research Associate, Department of Education,The University of Tokyo February 1994 - September 1997 Researcher, ERATO, JRDC April 1991 - February 1994 Researcher, TOKYO LABO. SHARP.CO.LTD April 1985 - March 1986 4 Professional Societies & Activities Member, The Biophysical Society of Japan Member, The Protein Scinece Society of Japan Referee for: Journal of the Biophysical Society of Japan Convenor, The Biophysical Society of Japan Convenor, Super Computer Workshop '02, ORION, Japan, 5-6 March 2002. 5 Teaching & PhD Supervision Lecture courses: Experimental Science, The University of Tokyo, JAPAN, 1994-1997. Short Lectures about ion channles ORION, JAPAN, 2002. Ph D Supervision: Joint supervisor Mitsunori Takano, "Studies on Polypeptide Folding", The University of Tokyo,1997. 6 Research Grants 1994 "Design of molecular assembly with computer simulations" Grant from Laboratory for New Generation 1995 "Study on protein solubility and the surface charge distribution" Grants-in-Aid for Scientific Research System 1995-6 "Production of crystallized thin film from proteoliposome" Grants-in-Aid for Scientific Research System 1997-8 "Development of computation method of protein stability and the interaction, considering ion solvation effect" Grants-in-Aid for Scientific Research System 2000-4 "Primary Information of Life and Foundation of Integrative Bioscience" Grants-in-Aid for Scientific Research System 2000 Grants-in-Aid for Ministry of Education, Culture, Sports, Science and Technology, to visit Karolinska Institute, Sweden 2002 Grants-in-Aid for Ministry of Education, Culture, Sports, Science and Technology, to visit ANU, Australia 7 Publications  Papers 1 2022/3/21 Sphingolipids with 2-hydroxy fatty acids aid in plasma membrane nanodomain organization and oxidative burst │ (Co-authored)    2 2022/2/8 Information quantity for secondary structure propensities of protein subsequences in the Protein Data Bank │ Biophysics and Physicobiology │ 19 (Co-authored)    3 2020/12/22 GA-guided mD-VcMD: A genetic-algorithm-guided method for multi-dimensional virtual-system coupled molecular dynamics │ Biophysics and Physicobiology │ 17,pp.161-176 (Co-authored)    4 2020/10/15 myPresto/omegagene 2020: a molecular dynamics simulation engine for virtual-system coupled sampling │ Biophysics and Physicobiology │ 18,pp.1 (Co-authored)    5 Oct-19 Effects of ion–water Lennard-Jones potentials on the hydration dynamics around a monovalent atomic ion in molecular dynamics simulations │ Molecular Simulation │ 45 (19),pp.1572- (Co-authored)    6 Oct-19 Effects of number of parallel runs and frequency of bias-strength replacement in generalized ensemble molecular dynamics simulations │ Peer J. Phys. Chem. │ ,pp.1:e4 (Co-authored)    7 Jul-19 Studies on Molecular Dynamics of Intrinsically Disordered Proteins and Their Fuzzy Complexes: A Mini-Review │ Computational and Structural Biotechnology Journal │ 17,pp.712-720 (Co-authored)    8 Aug-18 Influence of various parameters in the replica-exchange molecular dynamics method: Number of replicas, replica-exchange frequency, and thermostat coupling time constant │ Biophysics and Physicobiology │ 15,pp.165–172 (Co-authored)    9 May-18 Unfolding of α-helical 20-residue poly-glutamic acid analyzed by multiple runs of canonical molecular dynamics simulations │ PeerJ │ 6,pp.e4769 (Co-authored)    10 Jun-17 Electrostatic energy of transfer and macrobond analyses of intermolecular interactions and hydration effects in protein crystals in a low ionic environment │ Journal of Crystal Growth │ 468,pp.283-289 (Co-authored)    11 Aug-16 On the use of mass scaling for stable and efficient simulated tempering with molecular dynamics │ J Computational Chemistry │ 37 (21),pp.2017–2028 (Co-authored)    12 Sep-15 Momentum and Velocity Scaling Rules in Replica-Exchange Molecular Dynamics Simulations with Mass Manipulation │ JPS Conf. Proc. │ ,pp.011009 (Co-authored)    13 Sep-14 Mass-scaling replica-exchange molecular dynamics optimizes computational resources with simpler algorithm. │ J Chem Phys. │ 141 (11),pp.11411 (Co-authored)   14 Dec-13 Exhaustive Characterization of TCR–pMHC Binding Energy Estimated by the String Model and Miyazawa-Jernigan Matrix │ General Medicine │ 105 (4) (Co-authored)    15 Jun-11 Assessment of dynamic properties of water around a monovalent ion: A classical molecular dynamics simulation study │ Computational and Theoretical Chemistry │ 966 (1-3),pp.26-30 (Co-authored)   16 Jun-11 Synthesis of Uniform and Dispersive Calcium Carbonate Nanoparticles in a Protein Cage through Control of Electrostatic Potential │ Inorganic Chemistry │ 50 (14),pp.6526–6532 (Co-authored)   17 Aug-09 Crystal Habits of Cubic Insulin and Evaluation of Intermolecular Interactions by Macrobond and EET Analyses │ Journal of Crystal Growth │ 311 (17),pp.4226-4234 (Co-authored)   18 Oct-08 Directional Entropy of Chain Folding Detected in Chain Folding Free Energies? Crystal Thickness Transition of isotactic Polybutene-1 Tetragonal Phase │ Polymer Journal │ 140 (10),pp.996-1004 (Co-authored)   19 Oct-08 Kinetic Roughening Transition of isotactic Polybutene-1 Tetragonal Crystals: Disagreement between Morphology and Growth Kinetics │ Polymer Journal │ 140 (10),pp.1005-1009 (Co-authored)   20 Oct-08 Melt Crystallization of isotactic Polybutene-1Trigonal Form: the Effect of Side Chain Entropy on Crystal Growth Kinetics │ Polymer Journal │ 140 (10),pp.1010-1016 (Co-authored)   21 Aug-08 Investigation of morphology and surface microtopograph of cubic insulin │ Acta Crystallography │ 64,pp.582-582 (Co-authored)   22 Mar-08 Calculation of Electrostatic Solvation Free Energy of Protein Molecules: Size Dependence and Error Evaluation of the Calculation Method │ Memoirs of the Institute of Science & Engineering │ (66),pp.25-28 (Co-authored)   23 Dec-07 Prediction of T-Cell Epitope │ Journal of Pharmacological Sciences │ 105 (4),pp.299-316 (Co-authored)   24 May-07 Morphological Transition of Isotactic Polybutene-1 Tetragonal　Crystals: Optical and　Transmission Electron Microscopy Observation │ Modern Research and Educational Topics in Microscopy │ 2,pp.713-718 (Co-authored)   25 Aug-04 Detection of pairwise residue proximity by covariation analysis for 3D-structure prediction of G-protein-coupled receptors │ The Protein Journal │ 23 (6),pp.427-435 (Co-authored)   26 2003 Functional Properties of Threefold and Fourfold Channels in Ferritin Deduced from Electrostatic Calculations │ Biophys.J │ ,pp.84:2256-2263   27 May-02 Comparison of all atom,continuum, and linear fitting empirical models for charge screening effect of aqueous medium surrounding a protein molecule │ J.Chem.Phys │ ,pp.116,8232 (Co-authored)   28 Apr-96 Inter-subunit Electrostatic Interactions in Ferritin Molecule: Comparison with Inter-molecular Interactions in Crystals │ J.Cryst.Growth │ ,pp.168,130-137 (Co-authored) Proceedings T. Takahashi, K. Nagayama (2000) "Charge screening of B1 domain of protein G in pure water: Comparison of all atom model and continuum model.", Abstracts of International meeting about "Understanding Protein Electrostatics" p75-75 T. Takahashi, A. Tanaka, and K. Nagayama, "Statistical Analysis of Unfolding Process of Protein G B1 Domain with 50 Runs of Molecular Dynamics Simulation s", Old and New Views of Protein Folding, Kunihiro (Eds. Kuwajima K & Arai M) Taniguchi symposium papers 99 (1999) Elsevier, Amsterdam, pp217-226 T. Takahashi, "ELECTROSTATIC CONTRIBUTION TO PROTEIN COMPLEX STABILITY", Progress in Biophysics & Molecular Biology, (1996), 65, Suppl. 1, 59 Takuya Takahashi, Niki Denkov, and Kuniaki Nagayama ,"Calculated Surface Electrostatic Potential of Proteins agreed well with Experiments: The Contributi on to the Inter-molecular Interaction", Proceedings of ｣ｲnd International Symposium on Biological Physics, (1995), p84 Takuya Takahashi and Kuniaki Nagayama, "Simulations of Protein 2D Crystallization in Wetting Films", The Proceedings of the 1994 Summer Computer Simulati on Conference, (1994), 723-727 Takuya Takahashi, Shigeru Endo, and Kuniaki Nagayama "A Numerical Approach to Evaluate Electrostatic Stabilization of Protein Crystals" Advanced Materials '93 III, Matsumoto et al. ED., ELSEVIER, (1993) 16A, 551-554 Takuya Takahashi, Haruki Nakamura, and Akiyoshi Wada, " Electrostatic Effects in Two Lysozymes: Calculations and Measurements of Histidine pKa Values", P roceeding of 2nd International Conference of Protein Engineering (1989) 114 Haruki Nakamura, Takesi Sakamoto, Takuya Takahashi, and Akiyoshi Wada, " Theoretical Study of Dielectric-Constant of Protein", J. Mol. Graph. (1988) Vol. 6 Iss4, pp208-208 Books and Reviews Takuya Takahashi, "Ion and water", water and life, Kunuaki Nagayama ed., Kyoritsu-press (2000) 47-65 Takuya Takahashi, "SIGNIFICANT ROLE OF ELECTROSTATIC INTERACTIONS FOR STABILIZATION OF PROTEIN ASSEMBLIES", Advances in Biophysics, (1997) 34, 41-54 Takuya Takahashi, "Function of Kidney", Health and sports of young man, Masahiko Udo, Takeo Masaki ed., Modern-education-press (1995) 62-64 Takuya Takahashi & Haruki Nakamura, "Role of Electrostatic interaction in molecular recognition" Protein, Nucleic acid, Enzyme (1994) Vol.39 No.7 1059-1065 Takuya Takahashi "Life science and sanitation" Sanitation and fitness, Yu Inaba & Kao Takahashi ed., Shinohara-press (1993) 55-63 Academic conference presentation 1. 2021/11 Analysis of relationship between the hydration dynamics and the structures of model proteins with MD simulations (The 59th annual meeting of biophysical society of japan) 2. 2021/11 Comprehensive analysis of protein-peptide interactions for reranking of docking predictions (The 59th annual meeting of biophysical society of japan) 3. 2021/11 Development and Application of the virtual-system coupled canonical sampling method (The 59th annual meeting of biophysical society of japan) 4. 2021/11 Molecular dynamics simulation of phosphorylated and unmodified intrinsically disordered region of TGIF-1 with its homeodomain (The 59th annual meeting of biophysical society of japan) 5. 2021/11 Molecular dynamics study of hydrated water dynamics around 9 peptides with different helix propensity (The 59th annual meeting of biophysical society of japan) 6. 2021/11 Molecular dynamics study on multiple binding modes of MED26 to recognize intrinsically disordered proteins. (The 59th annual meeting of biophysical society of japan) 7. 2021/11 Simulation study of binding mechanism between intrinsically disordered region of transcription factor PC4 and tegument protein VP16 (The 59th annual meeting of biophysical society of japan) 8. 2021/11 Verification of simulations using Virtual system coupled canonical molecular dynamics for the small protein inhibitor (The 59th annual meeting of biophysical society of japan) 9. 2021/09/28 Secondary structure propensities of amino acid N-grams in the Protein Data Bank (Informatics In Biology, Medicine and Pharmacology 2021) 10. 2021/07 Computational and biological analyses of Tim4-carbon nanotubes interactions (The 48th Annual Meeting of the Japanese Society of Toxicology) 11. 2021/06/18 Molecular dynamics study of hydration dynamics around Helix peptides (The 21th Annual Meeting of the Protein Science Society of Japan) 12. 2021/06/17 Analysis of binding mechanisms of novel RUNX1 inhibitor candidates by using molecular dynamics simulations (The 21th Annual Meeting of the Protein Science Society of Japan) 13. 2021/06/17 Molecular dynamics study on the multiple binding modes of MED26 to recognize three different intrinsically disordered proteins (The 21th Annual Meeting of the Protein Science Society of Japan) 14. 2021/06/17 Protein-small ligand interaction prediction method by supervised machine learning based on PDBBind database (The 21th Annual Meeting of the Protein Science Society of Japan) 15. 2020/09/16 Molecular dynamics study on the relationship between model peptides and its hydration dynamics (The 58th annual meeting of biophysical society of japan) 16. 2020/09/16 MD simulations reveal hydration dynamics around peptides with different sequences and structures (The 58th annual meeting of biophysical society of japan) 17. 2019/09/25 Analysis of structural and functional propensities for subsequences of proteins by using machine learning (The 57th annual meeting of biophysical society of japan) 18. 2019/09/25 Influences of cholesterol on structural dynamics of membrane protein complexes studied by molecular dynamics simulations (The 57th annual meeting of biophysical society of japan) 19. 2019/09/25 Molecular dynamics study for elucidation of recognition mechanism of intrinsically disordered proteins by transcription factor Med26 (The 57th annual meeting of biophysical society of japan) 20. 2019/09/24 Analysis of the protein-protein interaction between regions external to globular domains with (The 57th annual meeting of biophysical society of japan) 21. 2019/09/24 Development of software to analyze the effects of specific residue substitution on hydration water dynamics (The 57th annual meeting of biophysical society of japan) 22. 2019/09/24 MD simulations reveal hydration dynamics around model proteins (The 57th annual meeting of biophysical society of japan) 23. 2019/09/24 Molecular dynamics simulations to dissect effects of charged residues on liquid-liquid phase separation (The 57th annual meeting of biophysical society of japan) 24. 2019/09/24 Segments without non-local contacts in protein structures (The 57th annual meeting of biophysical society of japan) 25. 2019/06/25 Molecular Dynamics study of hydration dynamics around BPTI and the effect of ALA mutations (The 19th Annual Meeting of the Protein Science Society of Japan) 26. 2019/06/25 Molecular Dynamics study of hydration dynamics around model proteins (The 19th Annual Meeting of the Protein Science Society of Japan) 27. 2019/06/25 Molecular dynamics study on core formation mechanism of amyloid peptide higher-order complexes (The 19th Annual Meeting of the Protein Science Society of Japan) 28. 2019/06/24 Molecular dynamics study of the influence od cholesterol on complex formation of membrane protein (The 19th Annual Meeting of the Protein Science Society of Japan) 29. 2019/06/24 Molecular dynamics study for liquid-liquid phase separation of the low complexity domain of FUS (The 19th Annual Meeting of the Protein Science Society of Japan) 30. 2019/06/24 Development of software for hydration dynamics analysis based on the molecul ar dynamics method (The 19th Annual Meeting of the Protein Science Society of Japan) 31. 2018/09/16 MD simulations and analysis of hydration dynamics around several types of solute molecules (The 56th annual meeting of biophysical society of japan) 32. 2018/09/16 Molecular dynamics study on high-dimensional free-energy landscape of amyloid peptide higher-order complexes (The 56th annual meeting of biophysical society of japan) 33. 2018/09/15 A new method to improve the accuracy for protein-small molecule docking by using interaction pattern fingerprint and machine learning (The 56th annual meeting of biophysical society of japan) 34. 2018/09/15 Elucidation of the mechanism of protein-protein interaction between regions out of globular domains with molecular dynamics simulations (The 56th annual meeting of biophysical society of japan) 35. 2018/09/15 Influence of cholesterol on membrane protein complex formation by molecular dynamics simulations with model peptides (The 56th annual meeting of biophysical society of japan) 36. 2018/09/15 Molecular dynamics simulations of liquid droplet and aggregation formations of protein FUS (The 56th annual meeting of biophysical society of japan) 37. 2018/09/15 Predicting interactions between N-gram sequences in proteins by using Neural Network (The 56th annual meeting of biophysical society of japan) 38. 2017/09/21 A new prediction method for complex structures of protein and small molecule with machine learning (The 55th annual meeting of biophysical society of japan) 39. 2017/09/21 Investigation of appropriate conditions for enhancing sampling efficiency of multi-canonical molecular dynamics (The 55th annual meeting of biophysical society of japan) 40. 2017/09/21 Statistical analysis of correlation between amino acid sequence and protein function based on using Protein Data Bank (The 55th annual meeting of biophysical society of japan) 41. 2017/09/21 Study on helix-coil transition stability of the termini of polyglutamic acid using molecular dynamics method (The 55th annual meeting of biophysical society of japan) 42. 2017/09/21 The dominant structure of polyglutamic acids under an acidic conditions analyzed by replica-exchange molecular dynamics simulations (The 55th annual meeting of biophysical society of japan) 43. 2017/09/19 Calculation of surface pH change of mitochondria due to aggregation (The 55th annual meeting of biophysical society of japan) 44. 2017/09/19 Molecular dynamics study on the relationship between the protein secondary structure and its hydration dynamics (The 55th annual meeting of biophysical society of japan) 45. 2017/09/19 Multicanonical molecular dynamics study of transcription factor-DNA binding regulation via the intrinsically disordered region (The 55th annual meeting of biophysical society of japan) 46. 2017/09/19 Reproduction of the water mobility around an ion by introducing a new Lennard-Jones parameter (The 55th annual meeting of biophysical society of japan) 47. 2017/06/22 Hydration dynamics of proteins elucidated by molecular dynamics simulations: Effects of the secondary structures (The 17th Annual Meeting of the Protein Science Society of Japan) 48. 2017/06/22 Hydration dynamics of proteins elucidated by molecular dynamics simulations: Effects of the secondary structures (The 17th Annual Meeting of the Protein Science Society of Japan) 49. 2016/11/26 Calculation of inter-molecular electrostatic interactions in protein crystals (The 54th annual meeting of biophysical society of japan) 50. 2016/11/26 Effects of Lennard-Jones potentials on the dynamics of water molecules around a solute (The 54th annual meeting of biophysical society of japan) 51. 2016/11/26 Effects of solvent pH and protein conformations on water dynamics around a denatured protein with molecular dynamics simulation (The 54th annual meeting of biophysical society of japan) 52. 2016/11/26 Unfolding dynamics of poly-glutamic acid in using molecular dynamics method (The 54th annual meeting of biophysical society of japan) 53. 2016/11/25 Effective ATP generation by closely located mitochondria (The 54th annual meeting of biophysical society of japan) 54. 2016/11/25 Replica-exchange molecular dynamics study of pH dependent structural changes of polyglutamic acids (The 54th annual meeting of biophysical society of japan) 55. 2016/06/08 Effects of force field and solvent conditions on hydration dynamics of proteins (The 16th Annual Meeting of the Protein Science Society of Japan) 56. 2016/06/07 Choice of implicit model and force field affects conformational ensembles of proteins (The 16th Annual Meeting of the Protein Science Society of Japan) 57. 2015/09/15 MD simulations of water dynamics around solute molecules: Effect of LJ potential parameter changes artificially introduced (The 53th annual meeting of biophysical society of japan) 58. 2015/09/15 Structural dependence of poly-glutamic acids on pH studied by replica-exchange molecular dynamics simulations (The 53th annual meeting of biophysical society of japan) 59. 2015/05/16 レプリカ交換分子動力学法によるプロトン化状態の変化に伴うポリグルタミン酸の ヘリックス コイル転移の研究 (第62回 日本生化学会 近畿支部例会) 60. 2014/09/27 Effects of LJ potential parameters between solute and water on the hydration dynamics (The 52th annual meeting of biophysical society of japan) 61. 2014/09/27 Mass-scaling replica-exchange molecular dynamics method (The 52th annual meeting of biophysical society of japan) 62. 2013/09/27 Effects of Lennard-Jones potential parameters between the solute and solvent on the solvation dynamics (The 51th annual meeting of biophysical society of japan) 63. 2013/09/27 MD and QM calculations of dynamics and charges of hydration water (The 51th annual meeting of biophysical society of japan) 64. 2013/05/28 Surface polarity and energy analyses of protein-protein interactions in crystals (4th International Symposium on Diffraction Structural Biology) 65. 2012/09/22 Calculation of dynamics and charges of water around small solute molecules: MD and QM calculations (The 50th annual meeting of biophysical society of japan) 66. 2012/09/22 Investigation of force field parameter effect on solvation dynamics (The 50th annual meeting of biophysical society of japan) 67. 2011/09/17 Assessment of dynamic properties of water around ions and biomolecules: MD and QM calculations (The 49th annual meeting of biophysical society of japan) 68. 2011/09/10 MD simulations and QM calculations to elucidate solvation dynamics around several solute molecules (The 2nd international symposium on "Multi-scale Simulations of Biological and Soft Materials) 69. 2011/06/09 Calculation of solvent effect on stability of crystal form of ribonuclease A based on continuum dielectric model (The 11th annual meeting of protein science society of japan) 70. 2011/01/05 MD and QM calculations to reproduce water dynamics around several solute molecules (計算物質科学の課題と展望) 71. 2010/11/30 Challenge to reproduction of hyper-mobile water around monovalent ions: classical molecular dynamics study (4th symposium on “Fluctuations and Functions”) 72. 2010/11/30 MD simulations and QM calculations of water around small solute (4th symposium on “Fluctuations and Functions”) 73. 2010/09/20 Calculations of dynamics of water around biomolecules and ions (The 48th annual meeting of biophysical society of japan) 74. 2010/09/20 Reproduction of dynamics of water around an ion by refining water model (48th annual meeting of biophysics society Japan) 75. 2010/06/18 Calculations of dynamics and polarized charges of bio-molecules and the surrounding water molecules (The 10th annual meeting of protein science society of japan) 76. 2009/10/31 Calculations of dynamics and polarized charges of water molecules in ATP hydrolysis (The 47th annual meeting of biophysical society of japan) 77. 2008/12/03 Investigation of hydrating water dynamics through MD and QM (The 46th annual meeting of biophysical society of japan) 78. 2008/08/26 Investigation of morphology and surface microtopograph of cubic insulin (XXI Congress of the International Union of Crystallography) 79. 2008/01/25 Dynamics and charges calculations of hydrated water molecules around apolar and polar solutes (The 5th Open Workshop Program　Water) 80. 2007/11 Calculations of dynamics and charges of water molecules around apolar and polar solutes, and biomolecules (日本生物物理学会第45回年会) 81. 2007/11 Calculations of dynamics and charges of water molecules around apolar and polar solutes, and biomolecules (日本生物物理学会第45回年会) 82. 2007/09 Crystal thickness transition of isotactic polybutene-1 tetragonal phase (International Symposium on Polymer Crystallization 2007) 83. 2007/09 Kinetic roughening transition of isotactic polybutene-1 tetragonal crystals (International Symposium on Polymer Crystallization 2007) 84. 2007/09 Melt crystallization of isotactic polybutene-1 trigonal form in the melt (International Symposium on Polymer Crystallization 2007) 85. 2006/12 Molecular dynamics simulations of water molecules around solutes and in constant electric fields: Analysis of the dynamical properties 86. 2006/04 Calculation of solvation free energy of biomolecules : Evaluation of numerical error of continuum model (日本生物物理学会第43回年会) 87. 2006/04 生体分子およびイオン周囲の水和状態のMDによる解析 (第6回日本蛋白質科学会年会) 88. 2005/12 Calculations of solvation energy of bio-molecules: Error evaluation of finite difference calculation method (International　Symposium on Frontiers of Computational Science 2005) 89. 2004/04 Development of Energy-minimization and Molecular Simulation Algorithm Considering Solvation Effects in Dihedral Angle Space (The 1st Pacific-Rim　International Conference on Protein Science) 90. 2000/11 Calculation of solvation free energy of biomolecules : Evaluation of numerical error of continuum model (日本生物物理学会第43回年会)