Application of Numerical Optimization Methods to Perform Molecular Docking on Graphics Processing Units by M. A. Farkov, A. I. Legalov

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Rational computational Design of new-Generation EGFR tyrosine kinase (EGFR-TK) inhibitors by Chandraprakash Gond, Nikhil Kumar, Akanksha Mishra, Shivani Daksh, Anupama Datta, Anjani Kumar Tiwari

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Anti-diabetic Activity of Phloretin Against Maltase-glucoamylase Using Docking, Pharmacokinetics and Pharmacophore Studies by Miah Roney, Mohd Fadhlizil Fasihi Mohd Aluwi

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Linking machine learning and biophysical structural features in drug discovery by Armin Ahmadi, Shivangi Gupta, Vineetha Menon, Jerome Baudry

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What does AlphaFold3 learn about antibody and nanobody docking, and what remains unsolved? by Fatima N. Hitawala, Jeffrey J. Gray

Subjects: “…Antibody docking…”
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Analysis and Experiments of an Electromagnetic Docking Mechanism for Repeated Docking and Separation of the CubeSats by Xiaoze Yang, Chenyuan Li, Lili Zhang, Zeming Zhao, Caiting He, Tao Hu, Mingyang Li, Honghao Yue, Yong Zhao, Yuhao Zhang, Yitong Wei

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Assessing molecular docking tools: understanding drug discovery and design by Harendar Kumar Nivatya, Anjali Singh, Nitin Kumar, Sonam, Lovy Sharma, Vishal Singh, Raghav Mishra, Nishant Gaur, Arun Kumar Mishra

Subjects: “…Molecular docking…”
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Screening and Molecular Dynamic Simulations of Colicin Produced by Commensals Escherichia coli Isolated from Animals by Amal F. Ghanim, Basil Abbas, Ali B. Al-Deewan, Hanan Hasan Ali

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Molecular Docking Study of Illicium verum Hook f. as Elastase and Collagenase Inhibitor in Anti-aging Mechanism by Ave Rahman, Tri Widiandani, Retno Widyowati

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An Activity of Flavonoid Derived Compounds from Medinilla speciosa Extract as Anti-hyperpigmentation against Tyrosinease Proteins with In Silico Methods by elshinta riantica, Awik Puji Dyah Nurhayati, Noor Nailis Sa’adah

Subjects: “…Docking…”
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Molecular Docking Study of Illicium verum Hook f. as Elastase and Collagenase Inhibitor in Anti-aging Mechanism by Ave Rahman, Tri Widiandani, Retno Widyowati

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High-Risk Neuroblastoma Stage 4 (NBS4): Developing a Medicinal Chemistry Multi-Target Drug Approach by Amgad Gerges, Una Canning

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Development of A. solani β-tubulin models and comparison of docking results for benzo[d]azoles derivatives as potential antifungal agents by Konstantin L. Obydennov, Tatiana A. Kalinina, Tatiana V. Glukhareva, Vasiliy A. Bakulev

Subjects: “…docking…”
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Designing of a Novel Aerolysin-based Multiepitope Vaccine against Aeromonas hydrophila Isolated from Osphronemus goramy Using Reverse Vaccinology: an in Silico Approaches by Rozi, Wiwiek Tyasningsih, Jola Rahmahani, Eduardus Bimo Aksono, Muchammad Yunus, Mohammad Anam Al-Arif, Suryo Kuncorojati, Rahayu Kusdarwati, Putri Desi Wulan Sari, Mohammad Noor Azmai Amal, Annas Salleh, Nadeem Khanand, Suwarno

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Telomerase inhibiting phytochemicals derived from Blumea eriantha for cancer treatment: A comprehensive computational analysis by Rahil Ummar Faruk Abbu, Shaik Mohammad Abdul Fayaz, Divyashree M S, Raghu Chandrashekhar H, Prasanna Kumar Reddy Gayam, Archana Mahadev Rao

Subjects: “…Molecular docking…”
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Unveiling the therapeutic potential of octreotide in treating morphine dependence by Mohammad Shabani, Zeynab Pirmoradi, Moazamehosadat Razavinasab, Amin Hassanshahi, Reyhaneh Naderi, Zahra Esmaili, Mohammad Navid Ebrahimi, Mehran Ilaghi, Mohammad Amin Langarizadeh, Amir Hossain Moqaddari, Leili Rouhi, Meysam Ahmadi-Zeidabadi, Maryam Amiri, Kristi A. Kohlmeier, Sajad Amiri, Hamid Forootanfar, Mohammad Banazadeh

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Feed additives for methane mitigation: Recommendations for identification and selection of bioactive compounds to develop antimethanogenic feed additives by Zoey Durmic, Evert C. Duin, André Bannink, Alejandro Belanche, Vincenzo Carbone, M. Dolores Carro, Max Crüsemann, Veerle Fievez, Florencia Garcia, Alex Hristov, Miroslav Joch, Gonzalo Martinez-Fernandez, Stefan Muetzel, Emilio M. Ungerfeld, Min Wang, David R. Yáñez-Ruiz

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Naringenin inhibits lipid accumulation by activating the AMPK pathway in vivo and vitro by Xiaoyu Cai, Songxue Wang, Huali Wang, Suwen Liu, Guishan Liu, Huibin Chen, Ji Kang, Hao Wang

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Molecular Docking, Synthesis and Evaluation for Antioxidant and Antibacterial Activity of New Oxazepane and Benzoxazepine Derivatives by Athra G. Sager, Jawad Kadhim Abaies, Zeena R. Katoof

Subjects: “…Antioxidant, Benzoxazepine, Biological, Docking, Oxazepane…”
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TRain: T-cell receptor automated immunoinformatics by Austin Seamann, Maia Bennett-Boehm, Ryan Ehrlich, Anna Gil, Liisa Selin, Dario Ghersi

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