A research achievement by Researcher Yuseok Yu and colleagues has been published in eLife.

A research achievement by Researchers Soo-Young Lee and Wataru Nishima and colleagues has been published in Journal of Physical Chemistry C.

Researcher Kosuke Matsunaga has been selected for JST PRESTO under the theme “Development and Application of Intelligent Measurement and Analysis Techniques through the Fusion of Measurement Technology and Advanced Information Processing.”

A research achievement on GPU acceleration of GENESIS has been published in Journal of Chemical Theory and Computation.

A research achievement by Researcher Taiki Ohtaki and colleagues has been published in Journal of Physical Chemistry B.

A research achievement by Researcher Kiyoshi Yagi and colleagues has been published in Biophysical Journal.

Researcher Kosuke Matsunaga received the “Young Scientist Award for Excellence” at the 16th Annual Meeting of the Protein Science Society of Japan.

Researcher Chigusa Kobayashi received the 7th RIKEN Incentive Award.

Special Postdoctoral Researcher Ai Niitsu has joined our team.

Assistant Masako Ishikawa has left our team.

Assistant Machiko Ishigaki has joined our team.

Special Postdoctoral Researcher Wataru Nishima has moved to Los Alamos National Laboratory.

Announcement: Prof. Yuko Okamoto (Nagoya University), Prof. Charles L. Brooks III (University of Michigan), and Prof. John Straub (Boston University), August 4, 2016 (Kobe, AICS). For details, click here.

GENESIS 1.1.0 has just been released! More

GENESIS website has been renewed! More

Announcement: Prof. Xuhui Huang (Hong Kong University of Science and Technology), July 19, 2016 (Wako Campus).

Announcement: Dr. Luigi D’Ascenzo, Dr. Filip Leonarski, and Dr. Pascal Auffinger (IBMC), July 4, 2016 (Wako Campus).

Announcement: Prof. Michael Feig (Michigan State University) and Prof. Wonpil Im (University of Kansas), May 17, 2016 (Wako Campus).

Announcement: Prof. Masayoshi Nakasako (Keio University), May 10, 2016 (Wako Campus).

Announcement: Prof. Joanna Trylska (University of Warsaw, Poland), April 12, 2016 (Wako Campus).

Special Postdoctoral Researcher Donatas Surblys has joined our team.

Special Postdoctoral Researcher Koichi Tamura has joined our team.

Special Postdoctoral Researcher Taku Ojima has joined our team.

Senior Research Scientist Soo-Young Lee has joined our team.

Researcher Tadashi Ando has moved to Tokyo University of Science.

Researcher Soo-Young Lee has moved to the RIKEN Quantitative Biology Center (QBiC).

RIKEN’s Open Day events Announcement : Apr. 23rd, 2016 (Wako) More

Special Postdoctoral Researcher Daisuke Matsutake has joined our team.

A research achievement by Researcher Soo-Young Lee and colleagues has been published in Biophysical Journal.

A research achievement by Researcher Kiyoshi Yagi and colleagues has been published in Physical Chemistry Chemical Physics.

A paper on the DoME model has been published in Journal of Physical Chemistry B.

A paper on data assimilation has been published in Journal of Chemical Physics.

Announcement: Prof. Edmond Chow (Georgia Institute of Technology), December 8, 2015 (Kobe, QBiC). For details, click here.

Announcement: Dr. James C. Gumbart (Georgia Institute of Technology, USA), November 10, 2015 (Wako Campus).

Special Postdoctoral Researcher Bo Thomsen received a letter of appreciation from President Matsumoto for winning the “Best Poster Award” at the 15th ICQC.

The Laboratory for Biomolecular Function Simulation and the Laboratory for Particle-based Bio-physical Modeling have moved to the Collaboration Center for Innovation.

Announcement: Prof. Naresh Patwari (Indian Institute of Technology Bombay, India), July 22, 2015 (Wako Campus).

Special Postdoctoral Researcher Taiki Ohtaki has moved to Nagasaki University.

Special Postdoctoral Researcher Hiromi Kashiwabara has moved to a new position.

Special Postdoctoral Researcher Bo Thomsen received the “Best Poster Award” at the 15th International Congress of Quantum Chemistry (ICQC).

Announcement: Dr. Karissa Sanbonmatsu (Los Alamos National Laboratory, USA), June 18, 2015 (IMDA).

Announcement: Prof. Sihyun Ham (Sookmyung Women’s University, Korea), June 30, 2015 (Wako Campus).

A research achievement on data assimilation has been published in Journal of Chemical Physics.

A research achievement by Special Postdoctoral Researcher Raimondas Galvelis and colleagues has been published in Journal of Computational Chemistry.

The paper on GENESIS has been published in WIREs Computational Molecular Science.

Press release issued for the WIREs Computational Molecular Science paper on GENESIS. For details, click here.

The latest version of GENESIS has been released. For details, click here.

A research achievement by Collaborative Researcher Po-Hung Wang and colleagues has been published in Journal of Chemical Theory and Computation.

RIKEN’s Open Day events Announcement : Apr. 18th, 2015 (Wako) More

Special Postdoctoral Researcher Kenta Yamada has joined our team.

Special Postdoctoral Researcher Motoji Kamiya has joined our team.

Researcher Naoyuki Miyashita has moved to Kindai University.

JSPS Postdoctoral Fellow Yasuaki Komuro and Special Postdoctoral Researcher Pai-Chi Li have moved to new positions.

Symposium “Large-scale biological simulations using supercomputers” will be held. For details, click here.

A paper on the Replica Exchange Molecular Dynamics Interface (REIN) has been published in International Journal of Quantum Chemistry.

Announcement: Dr. Steven Hayward (University of East Anglia, UK), February 26, 2015 (Wako Campus).

A collaborative research achievement with Prof. Michael Feig (Michigan State University) has been published in Journal of Molecular Graphics and Modelling.

Announcement: Dr. Masahito Taiji (RIKEN QBiC), February 20, 2015 (Wako Campus).

A research achievement on domain motion analysis of protein conformational changes has been published in Proteins: Structure, Function, and Bioinformatics.

Special Postdoctoral Researcher Wataru Mizukami has moved to Kyushu University.

Workshop Announcement : “Workshop on Frontier of Biomolecular Quantum Chemistry” Jan. 22-23, 2015 (Wako) (Official Site)

A research achievement by Researcher Soo-Young Lee has been published in Journal of Physical Chemistry Letters.

A research achievement on the replica-exchange MD interface has been published in International Journal of Quantum Chemistry.

A research achievement by Mr. Komuro and colleagues has been published in Journal of Chemical Theory and Computation.

Special Postdoctoral Researcher Yasuto Karino has moved to a new position.

Announcement: Workshop on Computer Modeling and Simulation of Biomolecular Systems, September 22, 2014 (Wako). (Official Site)

The website for the Replica Exchange Molecular Dynamics Interface (REIN) has been updated. For details, click here.

Mr. Komuro received the “Poster Award” at the 14th Annual Meeting of the Protein Science Society of Japan.

Participated in the QBiC Retreat (June 23–25, Kishu Minabe Royal Hotel).

A collaborative research achievement with Prof. Osamu Nureki (University of Tokyo) has been published in Nature.

A paper on hybrid parallelization for MD simulations has been published in Journal of Computational Chemistry.

Technical Staff Bo Thomsen has joined our team.

GENESIS training course will be held at the RIKEN Advanced Institute for Computational Science (AICS) on June 17 (Tue), Kobe. For details, click here.

Special Postdoctoral Researcher Wataru Mizukami and Special Postdoctoral Researcher Raimondas Galvelis have joined our team.

Trainee Shigehisa Watanabe has graduated.

The Generalized-Ensemble Simulation System (GENESIS) has been released.

Announcement: Prof. John E. Straub (Boston University, USA) and Prof. Wonpil Im (University of Kansas, USA), March 6, 2014 (Wako Campus).

Seminar by Dr. Yasushi Okada (RIKEN QBiC).

Seminar by Prof. Akihiro Kusumi (Kyoto University).

Mr. Komuro received the “Best Student Presentation Award” at the 3rd International Conference on Molecular Simulation (ICMS2013).

Announcement: Dr. Karissa Sanbonmatsu (Los Alamos National Laboratory, USA), December 11, 2013 (Wako Campus).

Participated in the 4th AICS International Symposium.

Held the ICMS2013 post-workshop “Workshop on Molecular Simulations of Biophysics and Biochemistry.” For details, click here.

A paper on surface tension replica-exchange method has been published in Journal of Chemical Theory and Computation.

A paper on dimer structure prediction of membrane proteins has been published in Journal of Computational Chemistry.

A collaborative research achievement with Dr. Takao Yoda (Nagahama Institute of Bio-Science and Technology) has been published in Proteins: Structure, Function, and Bioinformatics.

A paper on modeling of the cellular environment has been published in Journal of Molecular Graphics and Modelling.

Held the workshop “Workshop on Modeling Biomolecular Systems in Cellular Environment.” For details, click here.

A paper on accelerating non-bonded interaction calculations in MD simulations has been published in Journal of Computational Chemistry.

Held a symposium “Mechanisms of Nucleosome and Chromatin Function in the Crowded Nuclear Environment” at the 51st Annual Meeting of the Biophysical Society of Japan.

Announcement: “Workshop on Molecular Simulations of Biophysics and Biochemistry,” November 21, 2013 (Kobe). (Official Site)

Dr. Tadashi Ando (Researcher) has joined our laboratory.

Announcement: “Workshop on Modeling Biomolecular Systems in Cellular Environment,” October 31 – November 1, 2013 (Kyoto). (Official Site)

Announcement: Prof. Kenneth M. Merz Jr. (Michigan State University, USA), September 26, 2013 (Wako Campus).

A paper on accelerating non-bonded interaction calculations in MD simulations has been published in Journal of Computational Chemistry.

A collaborative research achievement with Prof. Osamu Nureki and Assoc. Prof. Yoshikazu Ishitani (University of Tokyo) has been published in Proceedings of the National Academy of Sciences USA.

Announcement: Symposium “Mechanisms of Nucleosome and Chromatin Function in the Crowded Nuclear Environment,” October 29, 2013 (Kyoto), at the 51st Annual Meeting of the Biophysical Society of Japan.

Seminar by Dr. Takeshi Sato (Institute for Protein Research, Osaka University).

A collaborative research achievement with Prof. Choi (Kyungpook National University, Korea) has been published in Journal of Physical Chemistry B.

Collaborative Researcher Po-Hung Wang has joined our team.

Dr. Andrei Pisliakov moved to the University of Dundee, Scotland.

Announcement: Symposium “Computational Protein Science in the Exaflops Era,” June 12, 2013 (Tottori), at the 13th Annual Meeting of the Protein Science Society of Japan.

Mr. Komuro was selected as a participant for the 2013 International HPC Summer School.

RIKEN Open Day, April 20, 2013 (Wako Campus).

Dr. Hiromi Kashiwabara (Special Postdoctoral Researcher) has joined our laboratory.

Researcher Takaharu Mori, Special Postdoctoral Researcher Taiki Ohtaki, and Collaborative Researcher Yuseok Yu have joined our laboratory.

Dr. Chigusa Kobayashi (Researcher) has joined our laboratory.

Collaborative Researcher Chigusa Kobayashi has moved to the RIKEN Kobe Institute; Collaborative Researcher Noriko Ogushi has moved to Ochanomizu University.

Dr. Ryuhei Harada (Special Postdoctoral Researcher) has moved to the Programming Environment Research Team at the RIKEN Advanced Institute for Computational Science (AICS).

Dr. Takaharu Mori (Special Postdoctoral Researcher) has moved to the Theoretical Molecular Science Laboratory (Sugita Lab).

Dr. C. Kobayashi (Contract Researcher) and Dr. F. Ogushi (Contract Researcher) moved to Kobe Institute and Ochanomizu University, respectively.

A research achievement by Mr. Komuro and colleagues has been published in Journal of Physical Chemistry B.

Mr. Komuro was selected as a Japanese participant for the 5th HOPE Meeting.

Announcement: RIKEN Symposium “New Developments in Glycobiology through the Collaboration of Theory and Experiment,” March 12, 2013 (Wako Campus).

Participated in the 3rd AICS International Symposium.

A paper on protein structural stability in crowded cellular environments has been published in Journal of the American Chemical Society.

A paper on QM/MM reaction path optimization has been published in Journal of Chemical Physics.

Seminar by Dr. Wataru Mizukami (University of Bristol, UK).

We invited applications for Researcher, Special Postdoctoral Researcher, and Senior Research Scientist positions. (Recruitment now closed.)

A collaborative research achievement with Prof. Choi (Kyungpook National University, Korea) has been published in Journal of Physical Chemistry B.

Researcher Kiyoshi Yagi has joined our team.

Seminar by Dr. Karissa Sanbonmatsu (Los Alamos National Laboratory, USA).

Participated in SC12 (December 10–16, Salt Lake City).

Released the Replica-Exchange Molecular Dynamics Interface (REIN).

Dr. Raimondas Galvelis (Special Postdoctoral Researcher) has joined our laboratory.

Our new website is now live.

A paper on ion mobility mass spectrometry of glycans has been published in Rapid Communications in Mass Spectrometry.

A symposium was held at the 50th Annual Meeting of the Biophysical Society of Japan.

Symposium “Supercomputing: Molecular Networks and Intracellular Dynamics” held at the 50th Annual Meeting of the Biophysical Society of Japan.

A review on the replica-exchange molecular dynamics method has been published in Current Physical Chemistry.

A paper on nitric oxide reductase (NOR) has been published in PLoS Computational Biology.

A paper on glycan structural calculations using REMD has been published in Biophysical Reviews.

Participated in the QBiC Retreat (July 24–26, Awaji Yumebutai).

A collaborative research achievement on cytochrome c oxidase has been published in Nature.

A paper on domain structural changes of adenosine kinase upon substrate binding has been published in PLoS Computational Biology.

Dr. Yasuto Karino (Special Postdoctoral Researcher) has joined our laboratory.

Seminar by Dr. Kosuke Inomata (RIKEN).

A collaborative research achievement on QM/MM-MD calculations of hydration dynamics has been published in Chemical Physics Letters.

A paper on modifications of N-glycans in water has been published in Journal of Physical Chemistry B.

Assistant Kayo Yamaji has moved to the Nishina Center for Accelerator-Based Science.

Seminar by Dr. Yasuto Karino (Kyoto University).

Yuji Sugita has been promoted to Chief Scientist. Accordingly, the lab name has been changed to “Theoretical Molecular Science Laboratory.”

Dr. Takashi Imai (Senior Research Scientist) has retired.

A collaborative research achievement on integrin has been published in Journal of Cell Biology.

A collaborative research achievement on modulation of immune recognition (MIR) has been published in Journal of Virology.

A paper on the effects of water structure and dynamics on proteins in crowded environments has been published in Journal of the American Chemical Society.

Seminar by Dr. Karl N. Kirschner (SCAI, Germany).

Seminar by Prof. Sihyun Ham (Sookmyung Women’s University, Korea).

A paper on lipid surface area calculation methods for membrane protein systems has been published in Journal of Computational Chemistry.

A paper on flip-flop motion of lipid molecules has been published in Chemical Physics Letters.

The Laboratory for Particle-based Biophysics and the Laboratory for Biomolecular Function Simulation have moved to the IMDA Building.

A paper on protein–protein interactions in crowded environments has been published in Journal of Physical Chemistry B.