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Journal of Computational Chemistry|January 28, 2003
Electrostatic component of solvation: comparison of SCRF continuum modelsCarles Curutchet, Christopher J Cramer, Donald G Truhlar, et al.Biochimica Et Biophysica Acta|April 30, 2013
Kinetics and computational studies of ligand migration in nitrophorin 7 and its Δ1-3 mutantAna Oliveira, Alessandro Allegri, Axel Bidon-Chanal, et al.Journal of Medicinal Chemistry|April 20, 2011
Switching reversibility to irreversibility in glycogen synthase kinase 3 inhibitors: clues for specific design of new compoundsDaniel I Perez, Valle Palomo, Concepción Pérez, et al.Journal of the American Chemical Society|January 15, 2008
Mechanism of product release in NO detoxification from Mycobacterium tuberculosis truncated hemoglobin NMarcelo A Martí, Axel Bidon-Chanal, Alejandro Crespo, et al.Journal of Chemical Theory and Computation|December 5, 2015
Derivation of Distributed Models of Atomic Polarizability for Molecular SimulationsIgnacio Soteras, Carles Curutchet, Axel Bidon-Chanal, et al.Journal of Chemical Information and Modeling|July 17, 2018
Development and Validation of Molecular Overlays Derived from Three-Dimensional Hydrophobic Similarity with PharmScreenJavier Vázquez, Alessandro Deplano, Albert Herrero, et al.Proteins|August 1, 1997
On the reaction mechanism of class Pi glutathione S-transferaseM Orozco, C Vega, A Parraga, et al.Journal of Computer-Aided Molecular Design|July 17, 2017
Binding mode prediction and MD/MMPBSA-based free energy ranking for agonists of REV-ERBα/NCoRYvonne Westermaier, Sergio Ruiz-Carmona, Isabelle Theret, et al.Journal of Chemical Information and Modeling|August 3, 2019
Cosolvent-Based Protein Pharmacophore for Ligand Enrichment in Virtual ScreeningJuan Pablo Arcon, Lucas A Defelipe, Elias D Lopez, et al.Journal of the American Chemical Society|May 8, 2023
Multi-Responsive Eight-State Bis(acridinium-Zn(II) porphyrin) ReceptorAmy Edo-Osagie, Dylan Serillon, Federica Ruani, et al.Pageof 28