High-Performance Drug Discovery: Computational Screening by Combining Docking and Molecular Dynamics Simulations

Noriaki Okimoto, Noriyuki Futatsugi, Hideyoshi Fuji, +6

PLoS Computational Biology

EngineeringHit IdentificationMolecular BiologyComputational ChemistryMolecular Dynamics +15

Histo-Blood Group Antigen-Like Substances of Human Enteric Bacteria as Specific Adsorbents for Human Noroviruses

Takayuki Miura, Daisuke Sano, Atsushi Suenaga, +5

Journal of Virology

Nanoscale Hydrophobic Interaction and Nanobubble Nucleation

Takahiro Koishi, Soohaeng Yoo, Kenji Yasuoka, +9

Physical Review Letters

EngineeringNanoscale ChemistryNanomaterialsNanotechnologyInterfacial Phenomenon +9

Molecular origin of the cation selectivity in OmpF porin: single channel conductances vs. free energy calculation

Christophe Danelon, Atsushi Suenaga, Mathias Winterhalter, +1

Biophysical Chemistry

Molecular OriginCation SelectivityPore StructurePorous MembranePorosity +5

Blockade of Inflammatory Responses by a Small-Molecule Inhibitor of the Rac Activator DOCK2

Akihiko Nishikimi, Takehito Uruno, Xuefeng Duan, +20

Chemistry & Biology

InflammationInflammatory ResponsesAnti-inflammatoryRac Activator Dock2Medicine +10

Protein Explorer

Makoto Taiji, Tetsu Narumi, Yousuke Ohno, +4

EngineeringComputational BiologyComputer EngineeringMolecular Dynamics SimulationsProtein Modeling +11

Gordon Bell finalists II---A 55 TFLOPS simulation of amyloid-forming peptides from yeast prion Sup35 with the special-purpose computer system MDGRAPE-3

Tetsu Narumi, Makoto Taiji, Mitsuru Ikei, +8

EngineeringProtein AssemblyMolecular BiologyAnalytical UltracentrifugationMolecular Dynamics +22

Folding Dynamics of 10‐Residue β‐Hairpin Peptide Chignolin

Atsushi Suenaga, Tetsu Narumi, Noriyuki Futatsugi, +4

Chemistry - An Asian Journal

Protein ChemistryProtein AssemblyProtein FoldingNatural SciencesFolding Process +12

Reversible hydrogel formation driven by protein–peptide–specific interaction and chondrocyte entrapment

Fuyu Ito, Kengo Usui, Daigo Kawahara, +8

Biomaterials

Biopolymer GelHydrogelsEngineeringPeptide EngineeringBiomedical Engineering +5

Crystal Structure of the Rac Activator, Asef, Reveals Its Autoinhibitory Mechanism

Kazutaka Murayama, Mikako Shirouzu, Yoshihiro Kawasaki, +9

Journal of Biological Chemistry