Machine learning dielectric screening for the simulation of excited state properties of molecules and materials

por Dong, Sijia S., Govoni, Marco, Galli, Giulia
Publicado 2021

Automated Active Space Selection with Dipole Moments

por Kaufold, Benjamin W., Chintala, Nithin, Pandeya, Pratima, Dong, Sijia S.
Publicado 2023

Hepatoprotective Effects of Albumin-Encapsulated Nanoparticles of a Curcumin Derivative COP-22 against Lipopolysaccharide/D-Galactosamine-Induced Acute Liver Injury in Mice

por Mu, Wenwen, Wang, Qi, Jia, Mingxia, Dong, Sijia, Li, Sijie, Yang, Jie, Liu, Guoyun
Publicado 2022

Investigation of the pharmacological treatment patterns of Chinese patients with major depressive disorder under real-world settings using multi-channel sequence analysis

por Wu, Tao, Dong, Sijia, Yang, Lu, Qiu, Hong, Qiu, Hong, Mellor, David, Chen, Jun, Xu, Yifeng
Publicado 2023

Concordance of the treatment patterns for major depressive disorders between the Canadian Network for Mood and Anxiety Treatments (CANMAT) algorithm and real-world practice in Chin...

por Yang, Lu, Su, Yousong, Dong, Sijia, Wu, Tao, Zhang, Yongjing, Qiu, Hong, Gu, Wenjie, Qiu, Hong, Xu, Yifeng, Wang, JianLi, Chen, Jun, Fang, Yiru
Publicado 2022

A mechanistic study on the cellular uptake, intracellular trafficking, and antisense gene regulation of bottlebrush polymer-conjugated oligonucleotides

por Zhang, Lei, Wang, Yuyan, Chen, Peiru, Wang, Dali, Sun, Tingyu, Zhang, Zheyu, Wang, Ruimeng, Kang, Xi, Fang, Yang, Lu, Hao, Cai, Jiansong, Ren, Mengqi, Dong, Sijia S., Zhang, Ke
Publicado 2022

Targeting oncogenic KRAS with molecular brush-conjugated antisense oligonucleotides

por Wang, Dali, Wang, Qiwei, Wang, Yuyan, Chen, Peiru, Lu, Xueguang, Jia, Fei, Sun, Yehui, Sun, Tingyu, Zhang, Lei, Che, Fangyuan, He, Jialu, Lian, Liming, Morano, Gemma, Shen, Michael, Ren, Mengqi, Dong, Sijia S., Zhao, Jean J., Zhang, Ke
Publicado 2022

The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry

por Li Manni, Giovanni, Fdez. Galván, Ignacio, Alavi, Ali, Aleotti, Flavia, Aquilante, Francesco, Autschbach, Jochen, Avagliano, Davide, Baiardi, Alberto, Bao, Jie J., Battaglia, Stefano, Birnoschi, Letitia, Blanco-González, Alejandro, Bokarev, Sergey I., Broer, Ria, Cacciari, Roberto, Calio, Paul B., Carlson, Rebecca K., Carvalho Couto, Rafael, Cerdán, Luis, Chibotaru, Liviu F., Chilton, Nicholas F., Church, Jonathan Richard, Conti, Irene, Coriani, Sonia, Cuéllar-Zuquin, Juliana, Daoud, Razan E., Dattani, Nike, Decleva, Piero, de Graaf, Coen, Delcey, Mickaël G., De Vico, Luca, Dobrautz, Werner, Dong, Sijia S., Feng, Rulin, Ferré, Nicolas, Filatov(Gulak), Michael, Gagliardi, Laura, Garavelli, Marco, González, Leticia, Guan, Yafu, Guo, Meiyuan, Hennefarth, Matthew R., Hermes, Matthew R., Hoyer, Chad E., Huix-Rotllant, Miquel, Jaiswal, Vishal Kumar, Kaiser, Andy, Kaliakin, Danil S., Khamesian, Marjan, King, Daniel S., Kochetov, Vladislav, Krośnicki, Marek, Kumaar, Arpit Arun, Larsson, Ernst D., Lehtola, Susi, Lepetit, Marie-Bernadette, Lischka, Hans, López Ríos, Pablo, Lundberg, Marcus, Ma, Dongxia, Mai, Sebastian, Marquetand, Philipp, Merritt, Isabella C. D., Montorsi, Francesco, Mörchen, Maximilian, Nenov, Artur, Nguyen, Vu Ha Anh, Nishimoto, Yoshio, Oakley, Meagan S., Olivucci, Massimo, Oppel, Markus, Padula, Daniele, Pandharkar, Riddhish, Phung, Quan Manh, Plasser, Felix, Raggi, Gerardo, Rebolini, Elisa, Reiher, Markus, Rivalta, Ivan, Roca-Sanjuán, Daniel, Romig, Thies, Safari, Arta Anushirwan, Sánchez-Mansilla, Aitor, Sand, Andrew M., Schapiro, Igor, Scott, Thais R., Segarra-Martí, Javier, Segatta, Francesco, Sergentu, Dumitru-Claudiu, Sharma, Prachi, Shepard, Ron, Shu, Yinan, Staab, Jakob K., Straatsma, Tjerk P., Sørensen, Lasse Kragh, Tenorio, Bruno Nunes Cabral, Truhlar, Donald G., Ungur, Liviu, Vacher, Morgane, Veryazov, Valera, Voß, Torben Arne, Weser, Oskar, Wu, Dihua, Yang, Xuchun, Yarkony, David, Zhou, Chen, Zobel, J. Patrick, Lindh, Roland
Publicado 2023