日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:

AI-Enhanced Adaptive Virtual Screening Platform Enabling Exploration of 69 Billion Molecules Discovers Structurally Validated FSP1 Inhibitors

AI增强型自适应虚拟筛选平台可探索690亿个分子,并发现结构验证的FSP1抑制剂

Cecchini, Domiziana; Nigam, AkshatKumar; Tang, Ming; Reis, Joana; Koop, Matt; Gottinger, Andrea; Nicoll, Callum Robert; Wang, Yao; Jayaraj, Abhilash; Çınaroğlu, Süleyman Selim; Törner, Ricarda; Malets, Yehor; Gehev, Minko; Das, Krishna M Padmanabha; Churion, Kelly; Kim, Jongwan; Thomas, Nidhin; Li, Yong; Seo, Hyuk-Soo; Dhe-Paganon, Sirano; Secker, Christopher; Haddadnia, Mohammad; Hasson, Alexander; Li, Minkai; Kumar, Abhishek; Levin-Konigsberg, Roni; Choi, Eun-Bee; Shapiro, Geoffrey I; Cox, Huel; Sebastian, Luke; Braithwaite, Chelsea; Bashyal, Puspalata; Radchenko, Dmytro S; Kumar, Aditya; Yang, Lei; Aquilanti, Pierre-Yves; Gabb, Henry; Alhossary, Amr; Wagner, Gerhard; Aspuru-Guzik, Alán; Moroz, Yurii S; Kalodimos, Charalampos G; Fackeldey, Konstantin; Schuetz, John D; Mattevi, Andrea; Arthanari, Haribabu; Gorgulla, Christoph

Modeling NRTIs and PIs class drug therapy on the dynamics of HIV infection with real patient data analysis and optimized control strategy

利用真实患者数据分析和优化控制策略,对核苷类逆转录酶抑制剂(NRTI)和蛋白酶抑制剂(PI)类药物治疗在HIV感染动态中的作用进行建模

Sardar, Purnendu; Ranjit, Buddhadev; Biswas, Santosh; Boulaaras, Salah Mahmoud; Allali, Karam; Pal, Biswadip; Das, Krishna Pada

Quantum-computing-enhanced algorithm unveils potential KRAS inhibitors

量子计算增强算法揭示潜在的KRAS抑制剂

Ghazi Vakili, Mohammad; Gorgulla, Christoph; Snider, Jamie; Nigam, AkshatKumar; Bezrukov, Dmitry; Varoli, Daniel; Aliper, Alex; Polykovsky, Daniil; Padmanabha Das, Krishna M; Cox Iii, Huel; Lyakisheva, Anna; Hosseini Mansob, Ardalan; Yao, Zhong; Bitar, Lela; Tahoulas, Danielle; Čerina, Dora; Radchenko, Eugene; Ding, Xiao; Liu, Jinxin; Meng, Fanye; Ren, Feng; Cao, Yudong; Stagljar, Igor; Aspuru-Guzik, Alán; Zhavoronkov, Alex

Leveraging relaxation-optimized (1)H-(13)C(F) correlations in 4-(19)F-phenylalanine as atomic beacons for probing structure and dynamics of large proteins

利用4-(19)F-苯丙氨酸中弛豫优化的(1)H-(13)C(F)相关性作为原子信标来探测大型蛋白质的结构和动力学

Boeszoermenyi, Andras; Radeva, Denitsa L; Schindler, Sebastian; Valadares, Veronica; Padmanabha Das, Krishna M; Dubey, Abhinav; Viennet, Thibault; Schmitt, Max; Kast, Peter; Gelev, Vladimir M; Stoyanov, Nikolay; Burdzhiev, Nikola; Petrov, Ognyan; Ficarro, Scott; Marto, Jarred; Geffken, Ezekiel A; Dhe-Paganon, Sirano; Seo, Hyuk-Soo; Alexander, Nathan D; Cooley, Richard B; Mehl, Ryan A; Kovacs, Helena; Anklin, Clemens; Bermel, Wolfgang; Kuprov, Ilya; Takeuchi, Koh; Arthanari, Haribabu

Interleukin-12 encoded by the oncolytic virus VSV-GP enhances therapeutic antitumor efficacy by inducing CD8+ T-cell responses with a long-lived effector cell phenotype

溶瘤病毒VSV-GP编码的白细胞介素-12通过诱导具有长寿命效应细胞表型的CD8+ T细胞反应来增强抗肿瘤治疗效果

Hatami, Jasmin; Das, Krishna; Wolf, Leonie; Aufschnaiter, Andreas; Kimpel, Janine; Nolden, Tobias; Schreiber, Liesa-Marie; Müllauer, Brigitte; Podgorschek, Elke; Schwaiger, Theresa; Spiesschaert, Bart; Wollmann, Guido; Elbers, Knut; von Laer, Dorothee; Bánki, Zoltán

Trivalent Metal Lewis Acids Activate CO(2) in Transfer Hydrogenations

三价金属路易斯酸在转移氢化反应中活化CO₂

Paparakis, Alexandros; Mena, Leandro D; Saha, Pritha; Das, Krishna Mohan; Shirwani, Daniel; Uranga, Jorge G; Hulla, Martin

The organophotocatalytic trifluoromethylation of 6-azauracils

6-氮杂尿嘧啶的有机光催化三氟甲基化

Das, Krishna Kanta; Hajra, Alakananda

Inhibition of dimeric SARS-CoV-2 Mpro displays positive cooperativity and a mixture of covalent and non-covalent binding.

二聚体 SARS-CoV-2 Mpro 的抑制表现出正协同性,并且是共价和非共价结合的混合

Padmanabha Das Krishna M, Chen Jun, Charifson Paul S, Green Jeremy, Tang Henry, Panchal Sanjay, Pu Fan, Korepanova Alla, Dubey Abhinav, Afanador Gustavo, Stojkovic Vladimir, Nocek Boguslaw, Bigelow Lance, Stubbs Sarah H, Davey Robert A, DeGoey David A, Arthanari Haribabu, Namchuk Mark N

Long-term neuropsychological trajectories in children with epilepsy: does surgery halt decline?

癫痫患儿的长期神经心理发展轨迹:手术能否阻止病情恶化?

Eriksson, Maria H; Prentice, Freya; Piper, Rory J; Wagstyl, Konrad; Adler, Sophie; Chari, Aswin; Booth, John; Moeller, Friederike; Das, Krishna; Eltze, Christin; Cooray, Gerald; Perez Caballero, Ana; Menzies, Lara; McTague, Amy; Shavel-Jessop, Sara; Tisdall, Martin M; Cross, J Helen; Martin Sanfilippo, Patricia; Baldeweg, Torsten

Vegetation disturbance and regrowth dynamics in shifting cultivation landscapes

轮耕景观中的植被扰动和再生长动态

Bhat, Yamini; Nandy, Subrata; Das, Krishna; Tamang, Muna; Padalia, Hitendra; Nath, Arun Jyoti; Majumdar, Koushik; Pebam, Rocky; Thongni, Pynkhlainbor; Kurmi, Bandana; Das, Ashesh Kumar; Kushwaha, S P S; Singh, R P