Therapeutic Potential of Targeting Plasminogen Activator Inhibitor-1 in COVID-19 von Kellici, Tahsin F., Pilka, Ewa S., Bodkin, Michael J.

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Small-molecule modulators of serine protease inhibitor proteins (serpins) von Kellici, Tahsin F., Pilka, Ewa S., Bodkin, Michael J.

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Rational drug design and synthesis of molecules targeting the angiotensin II type 1 and type 2 receptors von Kellici, Tahsin F, Tzakos, Andreas G, Mavromoustakos, Thomas

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Angiotensin II Type 1 Receptor Homology Models: A Comparison Between In Silico and the Crystal Structures von Kellici, Tahsin F.

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Enalos+ KNIME Nodes: New Cheminformatics Tools for Drug Discovery von Varsou, Dimitra-Danai, Nikolakopoulos, Spyridon, Tsoumanis, Andreas, Melagraki, Georgia, Afantitis, Antreas

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Fighting COVID-19 with Artificial Intelligence von Monteleone, Stefania, Kellici, Tahsin F., Southey, Michelle, Bodkin, Michael J., Heifetz, Alexander

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Supervised Molecular Dynamics (SuMD) Approaches in Drug Design von Sabbadin, Davide, Salmaso, Veronica, Sturlese, Mattia, Moro, Stefano

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Crystal structure analysis, covalent docking, and molecular dynamics calculations reveal a conformational switch in PhaZ7 PHB depolymerase von Kellici, Tahsin F., Mavromoustakos, Thomas, Jendrossek, Dieter, Papageorgiou, Anastassios C.

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Mapping the interactions and bioactivity of quercetin⿿(2-hydroxypropyl)-β-cyclodextrin complex von Kellici, Tahsin F., Chatziathanasiadou, Maria V., Diamantis, Dimitris, Chatzikonstantinou, Alexandra V., Andreadelis, Ioannis, Christodoulou, Eirini, Valsami, Georgia, Mavromoustakos, Thomas, Tzakos, Andreas G.

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Structure–function analysis of naturally occurring apolipoprotein A-I L144R, A164S and L178P mutants provides insight on their role on HDL levels and cardiovascular risk von Gkolfinopoulou, Christina, Soukou, Faye, Dafnis, Ioannis, Kellici, Tahsin F., Sanoudou, Despina, Mavromoustakos, Thomas, Stratikos, Efstratios, Chroni, Angeliki

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Exploring Polypharmacology in Drug Design von Saenz-Méndez, Patricia, Eriksson, Leif A.

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The Impact of Lipophilicity in Drug Discovery: Rapid Measurements by Means of Reversed-Phase HPLC von Giaginis, Constantinos, Tsopelas, Fotios, Tsantili-Kakoulidou, Anna

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In Silico Screening of Compound Libraries Using a Consensus of Orthogonal Methodologies von Myrianthopoulos, Vassilios, Lambrinidis, George, Mikros, Emmanuel

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Pharmacophore Generation and 3D-QSAR Model Development Using PHASE von Vrontaki, Eleni, Kolocouris, Antonios

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Design of Drugs by Filtering Through ADMET, Physicochemical and Ligand-Target Flexibility Properties von Martínez-Archundia, Marlet, Bello, Martiniano, Correa-Basurto, Jose

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Dynamic Undocking: A Novel Method for Structure-Based Drug Discovery von Majewski, Maciej, Ruiz-Carmona, Sergio, Barril, Xavier

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Development of Peptide-Based Inhibitors of Amylin Aggregation Employing Aromatic and Electrostatic Repulsion von Profit, Adam A., Desamero, Ruel Z. B.

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Binding Moiety Mapping by Saturation Transfer Difference NMR von Brender, Jeffrey R., Krishnamoorthy, Janarthanan, Ghosh, Anirban, Bhunia, Anirban

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A Hybrid Virtual Screening Protocol Based on Binding Mode Similarity von Anighoro, Andrew, Bajorath, Jürgen

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Designing Natural Product Hybrids Bearing Triple Antiplatelet Profile and Evaluating Their Human Plasma Stability von Tsiailanis, Antonis, Tsoumani, Maria, Stylos, Evgenios K., Chatziathanasiadou, Maria V., Kellici, Tahsin F., Mavromoustakos, Thomas, Tselepis, Alexandros D., Tzakos, Andreas G.

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