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Last updated: March 30, 2023
|4 article(s) found. Sorted by publication dates. (Help)|
|Masato Sumita, Kei Terayama, Ryo Tamura, Koji Tsuda. QCforever: A Quantum Chemistry Wrapper for Everyone to Use in Black-Box Optimization. Journal of Chemical Information and Modeling. 62  (2022) 4427-4434 10.1021/acs.jcim.2c00812 |
|Subramani Karthikeyan, Ganesan Bharanidharan, Sriram Ragavan, Saravanan Kandasamy, Shanmugavel Chinnathambi, Kanniyappan Udayakumar, Rajendiran Mangaiyarkarasi, Anandh Sundaramoorthy, Prakasarao Aruna, Singaravelu Ganesan. Comparative Binding Analysis of N-Acetylneuraminic Acid in Bovine Serum Albumin and Human α-1 Acid Glycoprotein. Journal of Chemical Information and Modeling. 59  (2019) 326-338 10.1021/acs.jcim.8b00558 |
|Lauren Takahashi, Itsuki Miyazato, Keisuke Takahashi. Redesigning the Materials and Catalysts Database Construction Process Using Ontologies. Journal of Chemical Information and Modeling. 58  (2018) 1742-1754 10.1021/acs.jcim.8b00165 |
|Randy Jalem, Mayumi Kimura, Masanobu Nakayama, Toshihiro Kasuga. Informatics-Aided Density Functional Theory Study on the Li Ion Transport of Tavorite-Type LiMTO4F (M3+–T5+, M2+–T6+). Journal of Chemical Information and Modeling. 55  (2015) 1158-1168 10.1021/ci500752n |