Integrated computational approaches for designing potent pyrimidine-based CDK9 inhibitors: 3D-QSAR, docking, and molecular dynamics simulations von Habib, Iffat, Chohan, Tahir Ali, Chohan, Talha Ali, Batool, Fakhra, Khurshid, Umair, Khursheed, Anjum, Raza, Ali, Ansari, Mukhtar, Hussain, Arshad, Anwar, Sirajudheen, Awadh Ali, Nasser A., Saleem, Hammad

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Discovery of High-Affinity Amyloid Ligands Using a Ligand-Based Virtual Screening Pipeline von Chisholm, Timothy S., Mackey, Mark, Hunter, Christopher A.

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While we're at it von Neuhaus, Richard John

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Leading Edge Chemical Crystallography Service Provision and Its Impact on Crystallographic Data Science in the Twenty-First Century von Coles, Simon J., Allan, David R., Beavers, Christine M., Teat, Simon J., Holgate, Stephen J. W., Tovee, Clare A.

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Steered Molecular Dynamics Simulations Study on FABP4 Inhibitors von Tomarchio, Rosario, Patamia, Vincenzo, Zagni, Chiara, Crocetti, Letizia, Cilibrizzi, Agostino, Floresta, Giuseppe, Rescifina, Antonio

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An Exploration of Small Molecules That Bind Human Single-Stranded DNA Binding Protein 1 von Schuurs, Zachariah P, Martyn, Alexander P, Soltau, Carl P, Beard, Sam, Shah, Esha T, Adams, Mark N, Croft, Laura V, O’Byrne, Kenneth J, Richard, Derek J, Gandhi, Neha S

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Exploration of potential inhibitors for tuberculosis via structure‐based drug design, molecular docking, and molecular dynamics simulation studies von Rajasekhar, Sreerama, Karuppasamy, Ramanathan, Chanda, Kaushik

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Diverse evolutionary pathways challenge the use of collateral sensitivity as a strategy to suppress resistance von Mandt, Rebecca EK, Luth, Madeline R, Tye, Mark A, Mazitschek, Ralph, Ottilie, Sabine, Winzeler, Elizabeth A, Lafuente-Monasterio, Maria Jose, Gamo, Francisco Javier, Wirth, Dyann F, Lukens, Amanda K

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Structural basis of colibactin activation by the ClbP peptidase von Velilla, José A., Volpe, Matthew R., Kenney, Grace E., Walsh, Richard M., Balskus, Emily P., Gaudet, Rachelle

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From Far West to East: Joining the Molecular Architecture of Imidazole-like Ligands in HO-1 Complexes von Floresta, Giuseppe, Fallica, Antonino Nicolò, Patamia, Vincenzo, Sorrenti, Valeria, Greish, Khaled, Rescifina, Antonio, Pittalà, Valeria

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Fragment merging approach for the design of thiazole/thiazolidine clubbed pyrazoline derivatives as anti-inflammatory agents: Synthesis, biopharmacological evaluation and molecular... von Elgohary, Mohamed K., Abd El Hadi, Soha R., Abo-Ashour, Mahmoud F., Abo-El Fetoh, Mohammed E., Afify, Hassan, Abdel-Aziz, Hatem A., Abou-Seri, Sahar M.

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Cultural Characters and Climate Change: How Heroes Shape Our Perception of Climate Science von Jones, Michael D.

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Fenamates and ibuprofen as foundational components in the synthesis of innovative, targeted COX-2 anti-inflammatory drugs, undergoing thorough biopharmacological assessments and in... von Elgohary, Mohamed K., Elkotamy, Mahmoud S., Abdelrahman Alkabbani, Mahmoud, Abdel-Aziz, Hatem A.

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Identification of Potential Druggable Targets and Structure-Based Virtual Screening for Drug-like Molecules against the Shrimp Pathogen Enterocytozoon hepatopenaei von Paria, Prasenjit, Tassanakajon, Anchalee

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Thrombogenic Collagen-Mimetic Peptides: Self-Assembly of Triple Helix-Based Fibrils Driven by Hydrophobic Interactions von Cejas, Mabel A., Kinney, William A., Chen, Cailin, Vinter, Jeremy G., Almond, Harold R., Balss, Karin M., Maryanoff, Cynthia A., Schmidt, Ute, Breslav, Michael, Mahan, Andrew, Lacy, Eilyn, Maryanoff, Bruce E.

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Harmaline to Human Mitochondrial Caseinolytic Serine Protease Activation for Pediatric Diffuse Intrinsic Pontine Glioma Treatment von Miciaccia, Morena, Rizzo, Francesca, Centonze, Antonella, Cavallaro, Gianfranco, Contino, Marialessandra, Armenise, Domenico, Baldelli, Olga Maria, Solidoro, Roberta, Ferorelli, Savina, Scarcia, Pasquale, Agrimi, Gennaro, Zingales, Veronica, Cimetta, Elisa, Ronsisvalle, Simone, Sipala, Federica Maria, Polosa, Paola Loguercio, Fortuna, Cosimo Gianluca, Perrone, Maria Grazia, Scilimati, Antonio

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Mourners' Dissatisfaction with Funerals May Influence Their Subsequent Medical/Welfare Expenses-A Nationwide Survey in Japan von Becker, Carl B, Taniyama, Yozo, Sasaki, Noriko, Kondo-Arita, Megumi, Yamada, Shinya, Yamamoto, Kayoko

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Identification of adaptive inhibitors of Cryptosporidium parvum fatty acyl-coenzyme A synthetase isoforms by virtual screening von Chattopadhyay, Somdeb, Mahapatra, Rajani Kanta

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Crise no mercado de ativos: um modelo pós-keynesiano von Guilherme Ricardo dos Santos Souza Silva, Curado, Marcelo

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Revitalizing Cancer Treatment: Exploring the Role of Drug Repurposing von Malla, RamaRao, Viswanathan, Sathiyapriya, Makena, Sree, Kapoor, Shruti, Verma, Deepak, Raju, Alluri Ashok, Dunna, Manikantha, Muniraj, Nethaji

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