Search Results - "virtual screening"

Identification of Small-Molecule Modulators of FOXO3 Through Virtual Screening

Nascimento, Filoemena^Aff3, Braga, Gonçalo^Aff3, Martel, Paulo J.^Aff3

Link, Wolfgang^Aff2, Walker, John M.^Aff1

Approaching Pharmacological Space: Events and Components

Vistoli, Giulio^Aff3, Talarico, Carmine^Aff4, Vittorio, Serena^Aff3, Lunghini, Filippo^Aff4, Mazzolari, Angelica^Aff3, Beccari, Andrea^Aff4, Pedretti, Alessandro^Aff3

Nicolotti, Orazio^Aff2, Walker, John M.^Aff1

Considerations Around Structure-Based Drug Discovery for KRAS Using DOCK

Chakrabarti, Mayukh^Aff4, Tan, Y. Stanley^Aff4, Balius, Trent E.^Aff4

Stephen, Andrew G.^Aff2, Esposito, Dominic^Aff3, Walker, John M.^Aff1

Receptor-Based Virtual Screening of Large Libraries in a Multi-Level In Silico Approach

Vieira, Tatiana F.^{Aff4, Aff5}, Sousa, Sérgio F.^{Aff4, Aff5}

Sousa, Ângela^Aff2, Passarinha, Luis^Aff3, Walker, John M.^Aff1

Molecular Modeling Techniques and In-Silico Drug Discovery

Bagchi, Angshuman^Aff3

Mandal, Sudip^Aff2, Walker, John M.^Aff1

Identification and Taste Characteristics of Six Novel Umami Peptides from Mytilus coruscus and Their Interaction with the T1R1/T1R3 Receptor

Chen, Jian^{aff1, aff2}, Li, Yuhan^aff1, Lu, Yanbin^aff2, Dai, Zhiyuan^aff2, Li, Huan^aff1

Mechanism Exploration of Dietary Supplement Astaxanthin on Improving Atherosclerosis through an Integrated Strategy Encompassing Artificial Intelligence Virtual Screening and Experimental Validation

Cai, Yisa^{aff1, aff5}, Yang, Shiyan^aff2, Zhao, Jiajiang^aff3, Zheng, Guangzhen^aff1, Han, Yun^aff4, Zhang, Yuhan^aff1, Qin, Yiyuan^aff1, Yang, Chao^aff5, Xiong, Qingping^aff1, Chu, Xinyi^aff3, Ju, Chunhan^aff3, Yin, Huixia^aff3, Shi, Yingying^aff1, Jiang, Feng^aff5, Yong, Hui^aff6, Zhu, Yong^aff1

High-Throughput Screening of Molecule/Polymer Photocatalysts for the Hydrogen Evolution Reaction

Shi, Lei, Troisi, Alessandro

Discovery and Characterization of Novel Receptor-Interacting Protein Kinase 1 Inhibitors Using Deep Learning and Virtual Screening

Liu, Bo, Zhao, Likun, Tan, Yi, Yao, Xiaojun, Liu, Huanxiang, Zhang, Qianqian

Artificial Intelligence for the Discovery of Safe and Effective Flame Retardants

Chen, Xiaojia, Nian, Min, Zhao, Feng, Ma, Yu, Yao, Jingzhi, Wang, Siyi, Chen, Xing, Li, Dan, Fang, Mingliang

Discovery of Novel Inhibitors Targeting Fungal Chitin Deacetylase via Virtual Screening for Plant Disease Control

Xu, Huan^aff1, Li, Yingchen^aff2, Cao, Xiaoyan^aff1, He, Qi^aff1, Jin, Binyan^aff1, Dai, Lingjie^aff1, Zhang, Xinyuan^aff1, Zhang, Xiaoming^aff1, Bian, Qiang^aff3, Yang, Qing^aff2, Zhang, Li^aff1

Computer-Aided Drug Discovery and Design: Recent Advances and Future Prospects

Talevi, Alan^{Aff4, Aff5}

Gore, Mohini^Aff2, Jagtap, Umesh B.^Aff3, Walker, John M.^Aff1

Automated Virtual Screening

Sykora, Vladimir Joseph^Aff3

Heifetz, Alexander^Aff2, Walker, John M.^Aff1

Development of Optimal Virtual Screening Strategies to Identify Novel Toll-Like Receptor Ligands Using the DockBox Suite

Preto, Jordane^Aff5, Gentile, Francesco^{Aff6, Aff7}

Fallarino, Francesca^Aff2, Gargaro, Marco^Aff3, Manni, Giorgia^Aff4, Walker, John M.^Aff1

Modeling of BACE-1 Inhibitors as Anti-Alzheimer’s Agents

Froes, Thamires Quadros^Aff3, Barbosa, Deyse Brito^Aff4, do Bomfim, Mayra Ramos^Aff4, Leite, Franco Henrique Andrade^Aff4, Castilho, Marcelo Santos^Aff5

Roy, Kunal^Aff2, Walz, Wolfgang^Aff1

In Silico Structure-Based Vaccine Design

Piplani, Sakshi^Aff3, Winkler, David^{Aff4, Aff5, Aff6}, Honda-Okubo, Yoshikazu^Aff3, Khanna, Varun^Aff3, Petrovsky, Nikolai^Aff3

Reche, Pedro A.^Aff2, Walker, John M.^Aff1

DCUI-MGraphDTA: Enabling Efficient Inference of a Drug-Target Binding Affinity Prediction Model on DCUs

Song, Tao, Zhang, Siyu, Meng, Xiangyu, Zhu, Zeyang, Zhu, Xianxi, Wang, Xun

2024 IEEE International Conference on Bioinformatics and Biomedicine (BIBM)

Diff4VS: HIV-inhibiting Molecules Generation with Classifier Guidance Diffusion for Virtual Screening

Lyu, Jiaqing, Chen, Changjie, Liang, Bing, Zhang, Yijia

2024 IEEE International Conference on Bioinformatics and Biomedicine (BIBM)

Therapeutic strategy to identify potential RAGE inhibitors against Alzheimer’s disease: An in-silico approach

Bhogal, Inderjeet, Pankaj, Vaishali, Roy, Sudeep

2024 IEEE International Conference on Bioinformatics and Biomedicine (BIBM)

Predictive Modelling of Drug Discovery Using Machine Learning

Srivastava, Atul, Srivastava, Ayush Kumar, Pillai, Anuradha, Singh, Kamlesh Kumar, Sharma, Vijay Shankar

2024 IEEE 11th Uttar Pradesh Section International Conference on Electrical, Electronics and Computer Engineering (UPCON)