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

A Reinforcement Learning-Guided Genetic Algorithm Integrating Medicinal Chemistry-Inspired Molecular Transformations

一种结合药物化学启发式分子转化的强化学习引导遗传算法

Alberga, Domenico; Nanna, Vittoria; Papadopoulos, Maria Giovanna Eva; Ancona, Adolfo; Lomuscio, Maria Cristina; Mangiatordi, Giuseppe Felice

Conformational Restriction of Designer Drugs Reveals Subtype-Selective and Biased CB(2) Agonists with Neuroprotective Effects.

构象限制设计药物揭示了具有神经保护作用的亚型选择性和偏向性 CB(2) 激动剂

Gioé-Gallo Claudia, Ortigueira Sandra, Prieto-Díaz Rubén, Contino Marialessandra, Azuaje Jhonny, Perrone Maria Grazia, Riganti Chiara, Alberga Domenico, Mangiatordi Giuseppe Felice, Andújar-Arias Antonio, García-Rey Aitor, Graziano Giovanni, Stefanachi Angela, Val Cristina, Martínez Antón Leandro, Rebassa Joan Biel, Reza David, Selas Asier, Francavilla Fabio, Paleo M Rita, García-Mera Xerardo, Loza M Isabel, Navarro Gemma, Brea José, Sotelo Eddy

Transformer Decoder Learns from a Pretrained Protein Language Model to Generate Ligands with High Affinity

Transformer解码器从预训练的蛋白质语言模型中学习,生成高亲和力配体

Creanza, Teresa Maria; Alberga, Domenico; Patruno, Cosimo; Mangiatordi, Giuseppe Felice; Ancona, Nicola

Structural Implications of Missense Point Mutations in Shwachman-Bodian-Diamond Syndrome Protein (SBDS): A Combined SAXS/MD Investigation

施瓦赫曼-博迪安-戴蒙德综合征蛋白(SBDS)错义点突变的结构意义:SAXS/MD联合研究

Mattiotti, Giovanni; Nanna, Vittoria; Giulini, Marco; Alberga, Domenico; Mangiatordi, Giuseppe Felice; Sánchez-Puig, Nuria; Saviano, Michele; Tubiana, Luca; Potestio, Raffaello; Lattanzi, Gianluca; Siliqi, Dritan

β-Cyclodextrin Inclusion Complexes with Model Pentapeptides: Role of the Tyrosine Position within the Peptide Chain

β-环糊精与模型五肽的包合物:肽链中酪氨酸位置的作用

Dragone, Martina; D'Abrosca, Gianluca; D'Aniello, Antonia; Alberga, Domenico; Shitaye, Getasew; Grazioso, Rinaldo; Tomassi, Stefano; Russo, Luigi; Fattorusso, Roberto; Di Maro, Salvatore; Mangiatordi, Giuseppe F; Saviano, Michele; Malgieri, Gaetano; Isernia, Carla; Iacovino, Rosa

Molecular interactions between a diphenyl scaffold and PED/PEA15: Implications for type II diabetes therapeutics targeting PED/PEA15 - Phospholipase D1 interaction

二苯基骨架与PED/PEA15之间的分子相互作用:对靶向PED/PEA15-磷脂酶D1相互作用的II型糖尿病治疗的意义

Mercurio, Ivan; D'Abrosca, Gianluca; Della Valle, Maria; Malgieri, Gaetano; Fattorusso, Roberto; Isernia, Carla; Russo, Luigi; Di Gaetano, Sonia; Pedone, Emilia Maria; Pirone, Luciano; Del Gatto, Annarita; Zaccaro, Laura; Alberga, Domenico; Saviano, Michele; Mangiatordi, Giuseppe Felice

Structural Characterization of the Full-Length Anti-CD20 Antibody Rituximab

全长抗CD20抗体利妥昔单抗的结构表征

Belviso, Benny Danilo; Mangiatordi, Giuseppe Felice; Alberga, Domenico; Mangini, Vincenzo; Carrozzini, Benedetta; Caliandro, Rocco

CATMoS: Collaborative Acute Toxicity Modeling Suite

CATMoS:协作式急性毒性建模套件

Mansouri, Kamel; Karmaus, Agnes L; Fitzpatrick, Jeremy; Patlewicz, Grace; Pradeep, Prachi; Alberga, Domenico; Alepee, Nathalie; Allen, Timothy E H; Allen, Dave; Alves, Vinicius M; Andrade, Carolina H; Auernhammer, Tyler R; Ballabio, Davide; Bell, Shannon; Benfenati, Emilio; Bhattacharya, Sudin; Bastos, Joyce V; Boyd, Stephen; Brown, J B; Capuzzi, Stephen J; Chushak, Yaroslav; Ciallella, Heather; Clark, Alex M; Consonni, Viviana; Daga, Pankaj R; Ekins, Sean; Farag, Sherif; Fedorov, Maxim; Fourches, Denis; Gadaleta, Domenico; Gao, Feng; Gearhart, Jeffery M; Goh, Garett; Goodman, Jonathan M; Grisoni, Francesca; Grulke, Christopher M; Hartung, Thomas; Hirn, Matthew; Karpov, Pavel; Korotcov, Alexandru; Lavado, Giovanna J; Lawless, Michael; Li, Xinhao; Luechtefeld, Thomas; Lunghini, Filippo; Mangiatordi, Giuseppe F; Marcou, Gilles; Marsh, Dan; Martin, Todd; Mauri, Andrea; Muratov, Eugene N; Myatt, Glenn J; Nguyen, Dac-Trung; Nicolotti, Orazio; Note, Reine; Pande, Paritosh; Parks, Amanda K; Peryea, Tyler; Polash, Ahsan H; Rallo, Robert; Roncaglioni, Alessandra; Rowlands, Craig; Ruiz, Patricia; Russo, Daniel P; Sayed, Ahmed; Sayre, Risa; Sheils, Timothy; Siegel, Charles; Silva, Arthur C; Simeonov, Anton; Sosnin, Sergey; Southall, Noel; Strickland, Judy; Tang, Yun; Teppen, Brian; Tetko, Igor V; Thomas, Dennis; Tkachenko, Valery; Todeschini, Roberto; Toma, Cosimo; Tripodi, Ignacio; Trisciuzzi, Daniela; Tropsha, Alexander; Varnek, Alexandre; Vukovic, Kristijan; Wang, Zhongyu; Wang, Liguo; Waters, Katrina M; Wedlake, Andrew J; Wijeyesakere, Sanjeeva J; Wilson, Dan; Xiao, Zijun; Yang, Hongbin; Zahoranszky-Kohalmi, Gergely; Zakharov, Alexey V; Zhang, Fagen F; Zhang, Zhen; Zhao, Tongan; Zhu, Hao; Zorn, Kimberley M; Casey, Warren; Kleinstreuer, Nicole C

CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity

CoMPARA:雄激素受体活性协同建模项目

Mansouri, Kamel; Kleinstreuer, Nicole; Abdelaziz, Ahmed M; Alberga, Domenico; Alves, Vinicius M; Andersson, Patrik L; Andrade, Carolina H; Bai, Fang; Balabin, Ilya; Ballabio, Davide; Benfenati, Emilio; Bhhatarai, Barun; Boyer, Scott; Chen, Jingwen; Consonni, Viviana; Farag, Sherif; Fourches, Denis; García-Sosa, Alfonso T; Gramatica, Paola; Grisoni, Francesca; Grulke, Chris M; Hong, Huixiao; Horvath, Dragos; Hu, Xin; Huang, Ruili; Jeliazkova, Nina; Li, Jiazhong; Li, Xuehua; Liu, Huanxiang; Manganelli, Serena; Mangiatordi, Giuseppe F; Maran, Uko; Marcou, Gilles; Martin, Todd; Muratov, Eugene; Nguyen, Dac-Trung; Nicolotti, Orazio; Nikolov, Nikolai G; Norinder, Ulf; Papa, Ester; Petitjean, Michel; Piir, Geven; Pogodin, Pavel; Poroikov, Vladimir; Qiao, Xianliang; Richard, Ann M; Roncaglioni, Alessandra; Ruiz, Patricia; Rupakheti, Chetan; Sakkiah, Sugunadevi; Sangion, Alessandro; Schramm, Karl-Werner; Selvaraj, Chandrabose; Shah, Imran; Sild, Sulev; Sun, Lixia; Taboureau, Olivier; Tang, Yun; Tetko, Igor V; Todeschini, Roberto; Tong, Weida; Trisciuzzi, Daniela; Tropsha, Alexander; Van Den Driessche, George; Varnek, Alexandre; Wang, Zhongyu; Wedebye, Eva B; Williams, Antony J; Xie, Hongbin; Zakharov, Alexey V; Zheng, Ziye; Judson, Richard S

Accelerating Drug Discovery by Early Protein Drug Target Prediction Based on a Multi-Fingerprint Similarity Search

基于多指纹相似性搜索的早期蛋白质药物靶点预测加速药物发现

Montaruli, Michele; Alberga, Domenico; Ciriaco, Fulvio; Trisciuzzi, Daniela; Tondo, Anna Rita; Mangiatordi, Giuseppe Felice; Nicolotti, Orazio