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Molecular dynamics simulation studies of novel β-lactamase inhibitor
Ul Haq, Farhan, Abro, Asma, Raza, Saad, Liedl, Klaus R., Azam, Syed Sikander
Published in Journal of molecular graphics & modelling (01.06.2017)
Published in Journal of molecular graphics & modelling (01.06.2017)
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Journal Article
Molecular dynamics simulation of hydrogen diffusion into brine: Implications for underground hydrogen storage
Kalati, Seyedeh Saba, Pour Khiabani, Nahid, Ayatollahi, Shahab, Mahani, Hassan, Zivar, Davood, Esmaeilbeig, Mohammad Amin
Published in International journal of hydrogen energy (31.01.2024)
Published in International journal of hydrogen energy (31.01.2024)
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Journal Article
Molecular dynamics simulation-guided drug sensitivity prediction for lung cancer with rare EGFR mutations
Ikemura, Shinnosuke, Yasuda, Hiroyuki, Matsumoto, Shingo, Kamada, Mayumi, Hamamoto, Junko, Masuzawa, Keita, Kobayashi, Keigo, Manabe, Tadashi, Arai, Daisuke, Nakachi, Ichiro, Kawada, Ichiro, Ishioka, Kota, Nakamura, Morio, Namkoong, Ho, Naoki, Katsuhiko, Ono, Fumie, Araki, Mitsugu, Kanada, Ryo, Ma, Biao, Hayashi, Yuichiro, Mimaki, Sachiyo, Yoh, Kiyotaka, Kobayashi, Susumu S., Kohno, Takashi, Okuno, Yasushi, Goto, Koichi, Tsuchihara, Katsuya, Soejima, Kenzo
Published in Proceedings of the National Academy of Sciences - PNAS (14.05.2019)
Published in Proceedings of the National Academy of Sciences - PNAS (14.05.2019)
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Journal Article
Two-Dimensional Infrared Spectroscopy and Molecular Dynamics Simulation Studies of Nonaqueous Lithium Ion Battery Electrolytes
Lim, Joonhyung, Lee, Kyung-Koo, Liang, Chungwen, Park, Kwang-Hee, Kim, Minjoo, Kwak, Kyungwon, Cho, Minhaeng
Published in The journal of physical chemistry. B (08.08.2019)
Published in The journal of physical chemistry. B (08.08.2019)
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Journal Article
Tensile responses of polycrystalline Mo via molecular dynamics simulation: Grain size and temperature effects
Hu, Yiqun, Xu, Jianfei, Su, Lei, Zhang, Yuhang, Ding, Suhang, Shen, Yanhua, Xia, Re
Published in Materials chemistry and physics (15.02.2023)
Published in Materials chemistry and physics (15.02.2023)
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Journal Article
Molecular dynamics simulation study on the mechanism of nanoparticle dispersion stability with polymer and surfactant additives
Xu, Na, Lv, Yaodong, Zhang, Laiqiang, Zhang, Shiwen, Li, Xin, Liu, Fei, Li, Zixuan, Zhang, Wei
Published in Chemical engineering science (05.10.2024)
Published in Chemical engineering science (05.10.2024)
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Journal Article
Investigation of additives nanoparticles and sphere barriers effects on the fluid flow inside a nanochannel impressed by an extrinsic electric field: A molecular dynamics simulation
Asgari, Alitaghi, Nguyen, Quyen, Karimipour, Arash, Bach, Quang-Vu, Hekmatifar, Maboud, Sabetvand, Roozbeh
Published in Journal of molecular liquids (15.11.2020)
Published in Journal of molecular liquids (15.11.2020)
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Journal Article