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Journal of Medicinal Chemistry|February 24, 2011
A novel approach for predicting P-glycoprotein (ABCB1) inhibition using molecular interaction fieldsFabio Broccatelli, Emanuele Carosati, Annalisa Neri, et al.
International Journal of Molecular Sciences|September 27, 2019
Molecular and Supramolecular Interactions in Systems with Nitroxide-Based RadicalsMaria Cristina Buta, Ana Maria Toader, Bogdan Frecus, et al.
Journal of Chemical Theory and Computation|December 2, 2015
Degenerate Perturbation Theory for Electronic g Tensors: Leading-Order Relativistic EffectsZilvinas Rinkevicius, Katia Julia de Almeida, Cornel I Oprea, et al.
Journal of Computer-Aided Molecular Design|September 14, 2023
Exploring DrugCentral: from molecular structures to clinical effectsLiliana Halip, Sorin Avram, Ramona Curpan, et al.
Nanomaterials (Basel, Switzerland)|April 8, 2020
Photoexcitation Processes in Oligomethine Cyanine Dyes for Dye-Sensitized Solar Cells-Synthesis and Computational StudyCorneliu I Oprea, Petre Panait, Zahraa M Essam, et al.
Journal of Biomolecular Screening|June 21, 2005
High-throughput screening with HyperCyt flow cytometry to detect small molecule formylpeptide receptor ligandsSusan M Young, Cristian Bologa, Eric R Prossnitz, et al.
Antimicrobial Agents and Chemotherapy|March 5, 2014
Antibacterial activity of pepducins, allosterical modulators of formyl peptide receptor signalingMalene Winther, Michael Gabl, Tudor I Oprea, et al.
Bioorganic & Medicinal Chemistry Letters|October 19, 2010
Small molecule inhibitors of hantavirus infectionPamela R Hall, Andrei Leitão, Chunyan Ye, et al.
Journal of Computer-Aided Molecular Design|March 3, 2007
Lead-like, drug-like or "Pub-like": how different are they?Tudor I Oprea, Tharun Kumar Allu, Dan C Fara, et al.
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