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Analytical Biochemistry|February 23, 2016
A simple and accurate protocol for absolute polar metabolite quantification in cell cultures using quantitative nuclear magnetic resonanceLuca Goldoni, Tiziana Beringhelli, Walter Rocchia, et al.Biomed Research International|July 12, 2014
A combined MPI-CUDA parallel solution of linear and nonlinear Poisson-Boltzmann equationJosé Colmenares, Antonella Galizia, Jesús Ortiz, et al.International Journal of Molecular Sciences|April 28, 2023
GSK-3β Allosteric Inhibition: A Dead End or a New Pharmacological Frontier?Beatrice Balboni, Mirco Masi, Walter Rocchia, et al.Journal of Chemical Information and Modeling|December 23, 2025
Patch-Based Ray Tracing in NanoShaper Boosts Molecular Surface ComputationMarco Domenico Mazzeo, Vincenzo Di Florio, Walter Rocchia, et al.Journal of Chemical Information and Modeling|January 21, 2014
Steered molecular dynamics simulations for studying protein-ligand interaction in cyclin-dependent kinase 5Jagdish Suresh Patel, Anna Berteotti, Simone Ronsisvalle, et al.Journal of Chemical Theory and Computation|November 8, 2017
Force Field Parametrization of Metal Ions from Statistical Learning TechniquesFrancesco Fracchia, Gianluca Del Frate, Giordano Mancini, et al.Frontiers in Molecular Biosciences|March 12, 2020
Chromatin Compaction Multiscale Modeling: A Complex Synergy Between Theory, Simulation, and ExperimentArtemi Bendandi, Silvia Dante, Syeda Rehana Zia, et al.Bioinformatics (Oxford, England)|August 6, 2024
Locuaz: an in silico platform for protein binders optimizationGerman P Barletta, Rika Tandiana, Miguel Soler, et al.Communications in Computational Physics|April 1, 2014
DelPhi Web Server: A comprehensive online suite for electrostatic calculations of biological macromolecules and their complexesSubhra Sarkar, Shawn Witham, Jie Zhang, et al.Journal of Chemical Theory and Computation|March 6, 2024
Computational Mutagenesis of Antibody Fragments: Disentangling Side Chains from ΔΔG PredictionsRika Tandiana, German P Barletta, Miguel Angel Soler, et al.Pageof 13