Fragment molecular orbital method: use of approximate electrostatic potential von Nakano, Tatsuya, Kaminuma, Tsuguchika, Sato, Toshiyuki, Fukuzawa, Kaori, Akiyama, Yutaka, Uebayasi, Masami, Kitaura, Kazuo

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Change in Conformation by DNA-Peptide Association: Molecular Dynamics of the Hin-Recombinase–hixL Complex von Komeiji, Yuto, Uebayasi, Masami

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Ab initio fragment molecular orbital (FMO) method applied to analysis of the ligand–protein interaction in a pheromone-binding protein von Nemoto, Tadashi, Fedorov, Dmitri G., Uebayasi, Masami, Kanazawa, Kenji, Kitaura, Kazuo, Komeiji, Yuto

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Rate limiting P-O(5') bond cleavage of RNA fragment : ab initio molecular orbital calculations on the base-catalyzed hydrolysis of phosphate von TAIRA, K, UCHIMARU, T, TANABE, K, UEBAYASHI, M, NISHIKAWA, S

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Fast and accurate molecular dynamics simulation of a protein using a special-purpose computer von Komeiji, Yuto, Uebayasi, Masami, Takata, Ryo, Shimizu, Akihiro, Itsukashi, Keiji, Taiji, Makoto

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Computational observation of an ion permeation through a channel protein von Suenaga, A, Komeiji, Y, Uebayasi, M, Meguro, T, Saito, M, Yamato, I

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Electrostatic Interactions That Determine the Rate of Pseudorotation Processes in Oxyphosphorane Intermediates:  Implications with Respect to the Roles of Metal Ions in the Enzymat... von Uchimaru, Tadafumi, Uebayasi, Masami, Hirose, Takuji, Tsuzuki, Seiji, Yliniemelä, Ari, Tanabe, Kazutoshi, Taira, Kazunari

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Prediction of Endocrine Disruptors Based on a New Structure—Activity Relationship for Sex and Environmental Hormones Using Chemical Hardness Concept von KOBAYASHI, Shigeki, SUGAYA, Toshiya, SAKATA, Nobuo, UEBAYASI, Masami, SAMESHIMA, Keiichiro, TANAKA, Akira

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Theoretical analyses on the role of metal cations in RNA cleavage processes von Uchimaru, T, Tanabe, K, Shimayama, T, Uebayasi, M, Taira, K

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Pentacoordinate oxyphosphorane intermediate always exists in aqueous solution von Yliniemela, A, Uchimaru, T, Tanabe, K, Uebayasi, M, Taira, K

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3D Structure Based Atomic Charge Calculation for Molecular Mechanics and Molecular Dynamics Simulations von Nakano, Tatsuya, Kaminuma, Tsuguchika, Uebayasi, Masami, Nakata, Yoshiro

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Properties of dianionic oxyphosphorane intermediates: implication to the reaction profile for base-catalyzed RNA hydrolysis von Taira, Kazunari, Uchimaru, Tadafumi, Storer, Joey W, Yliniemela, Ari, Uebayasi, Masami, Tanabe, Kazutoshi

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Computational design of a substrate specificity mutant of a protein von Honda, Nobuo, Komeiji, Yuto, Uebayasi, Masami, Yamato, Ichiro

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Identification of lateral gene in the genomic DNA sequence, by using the G+C content at the third position of synonymous codons of orthologous genes as an index von Ohfuku, Yuko, Tanaka, Hideo, Uebayasi, Masami

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Relationship between nucleotide sequence and 3D protein structure of six genes in Escherichia coli, by analysis of DNA sequence using a Markov models von Ohfuku, Yuko, Tanaka, Hideo, Uebayasi, Masami

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Existence of a marginally stable intermediate during the base-catalyzed methanolysis of methylene phosphate and ab initio studies of the monohydration of the pentacoordinated oxyph... von Storer, Joey W, Uchimaru, Tadafumi, Tanabe, Kazutoshi, Uebayasi, Masami, Nishikawa, Satoshi, Taira, Kazunari

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1B0900 Development of a quantum simulation algorithm based on the fragment MO method von Komeiji, Y., Nakano, T., Fukuzawa, K., Nemoto, T., Ueno, Y., Kitaura, K., Uebayasi, M.

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RNA hydrolysis via an oxyphosphorane intermediate von Uchimaru, Tadafumi, Storer, Joey W., Tanabe, Kazutoshi, Uebayasi, Masami, Nishikawa, Satoshi, Taira, Kazunari

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Enantiotopic differentiation in horse‐liver alcohol‐dehydrogenase‐catalyzed oxidoreduction studied with novel substrates having organometallic moieties von YAMAZAKI, Yoshimitsu, UEBAYASI, Masami, HOSONO, Kuniaki

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Purification and properties of 4-hydroxycyclo hexanecarboxylate dehydrogenase from Corynebacterium cyclohexanicum von Obata, H, Uebayasi, M, Kaneda, T

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