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Journal of Computational Chemistry|March 25, 2025
Molecular Dynamics-Assisted Interaction Between HABT and PI3K Enzyme: Exploring Metastable States for Promising Cancer Diagnosis ApplicationsRodrigo Mancini Santos, Teodorico Castro RamalhoPharmaceuticals (Basel, Switzerland)|December 23, 2023
MD Simulations to Calculate NMR Relaxation Parameters of Vanadium(IV) Complexes: A Promising Diagnostic Tool for Cancer and Alzheimer's DiseaseRodrigo Mancini Santos, Camila Assis Tavares, Taináh Martins Resende Santos, et al.Current Medicinal Chemistry|April 20, 2021
Regulation of Protein Synthesis: An Approach to Treat Autism Spectrum Disorder (ASD)Jéssika Poliana Teixeira, Teodorico Castro RamalhoThe Journal of Physical Chemistry. A|January 24, 2019
Exploring Through-Space Spin-Spin Couplings for Quantum Information Processing: Facing the Challenge of Coherence Time and Control Quantum StatesJéssica Boreli Dos Reis Lino, Teodorico Castro RamalhoJournal of Biomolecular Structure & Dynamics|September 4, 2013
Preventing the return of smallpox: molecular modeling studies on thymidylate kinase from Variola virusAna Paula Guimarães, Teodorico Castro Ramalho, Tanos Celmar Costa FrançaCurrent Topics in Medicinal Chemistry|July 28, 2021
4D-QSAR Models Applied to the Study of TGF- β1 Receptor InhibitorsTamiris Maria de Assis, Teodorico Castro Ramalho, Elaine Fontes Ferreira da CunhaThe Journal of Physical Chemistry. A|May 29, 2020
Enhancing NMR Quantum Computation by Exploring Heavy Metal Complexes as Multiqubit Systems: A Theoretical InvestigationJéssica Boreli Dos Reis Lino, Stephan P A Sauer, Teodorico Castro RamalhoJournal of Biomolecular Structure & Dynamics|March 27, 2013
Reactivation steps by 2-PAM of tabun-inhibited human acetylcholinesterase: reducing the computational cost in hybrid QM/MM methodsArlan da Silva Gonçalves, Tanos Celmar Costa França, Melissa Soares Caetano, et al.Chemico-Biological Interactions|May 24, 2019
Molecular modelling studies on the interactions of 7-methoxytacrine-4-pyridinealdoxime with VX-inhibited human acetylcholinesterase. A near attack approach to assess different spacer-lengthsJorge Alberto Valle da Silva, Eugenie Nepovimova, Teodorico Castro Ramalho, et al.Current Computer-Aided Drug Design|December 18, 2013
Applications of docking and molecular dynamic studies on the search for new drugs against the biological warfare agents Bacillus anthracis and Yersinia pestisTanos Celmar Costa França, Ana Paula Guimarães, Wilian Augusto Cortopassi, et al.Pageof 3