Naoki Takada, Noriyuki Futatsugi, Atsushi Suenaga, Tetsu Narumi, Noriaki Okimoto, ...
Introduction Molecular dynamics (MD) simulation is a very useful technique for studying the structure and dynamics of biologically important molecules such as proteins and DNA/RNA. In MD simulations,...
Behavior of water molecules in ATPase pocket of myosin (2006)
Yamanaka, Kazunori, Okimoto, Noriaki, Hata, Masayuki, 畑, 昌之, Neya, Saburo, 根矢, 三郎, ...
Not a single water molecule but a group of water molecules frequently play an importantrole to functionalize the enzymatic reaction of proteins. In this study, we carried out molecular dynamics(MD)...
Behavior of water molecules in ATPase pocket of myosin (2006)
Yamanaka, Kazunori, Okimoto, Noriaki, Hata, Masayuki, Neya, Saburo, Hoshino, Tyuji
Not a single water molecule but a group of water molecules frequently play an importantrole to functionalize the enzymatic reaction of proteins. In this study, we carried out molecular dynamics(MD)...
Molecular dynamics investigation of the double stranded oligonucleotide d(AT)6d(AT)6 (2002)
Fujii, Satoshi, Okimoto, Noriaki, Ebisuzaki, Toshikazu, Nojima, Takahiko, Takagi, Makoto, Takenaka, Shigeori
Molecular dynamics investigation of the double stranded oligonucleotide d(AT)6d(AT)6 (2002)
Fujii, Satoshi, Okimoto, Noriaki, Ebisuzaki, Toshikazu, Nojima, Takahiko, Takagi, Makoto, Takenaka, Shigeori
Molecular dynamics simulation of double stranded 12-meric oligonucleotide carrying an A and T alternating sequence, d(AT)6d(AT)6, over 1 ns was carried out under low NaCl conditions by using AMBER 6....
Computational studies on prion proteins: effect of Ala(117)-->Val mutation.
Okimoto, Noriaki, Yamanaka, Kazunori, Suenaga, Atsushi, Hata, Masayuki, Hoshino, Tyuji
Molecular dynamics calculations demonstrated the conformational change in the prion protein due to Ala(117)-->Val mutation, which is related to Gerstmann-Sträussler-Sheinker disease, one of the...
Computational studies on prion proteins: effect of Ala(117)-->Val mutation.
Okimoto, Noriaki, Yamanaka, Kazunori, Suenaga, Atsushi, Hata, Masayuki, Hoshino, Tyuji
Molecular dynamics calculations demonstrated the conformational change in the prion protein due to Ala(117)-->Val mutation, which is related to Gerstmann-Sträussler-Sheinker disease, one of the...
Okimoto, Noriaki, Futatsugi, Noriyuki, Fuji, Hideyoshi, Suenaga, Atsushi, Morimoto, Gentaro, Yanai, Ryoko, ...
Virtual compound screening using molecular docking is widely used in the discovery of new lead compounds for drug design. However, this method is not completely reliable and therefore unsatisfactory....