Walter Rocchia

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 24

Top Venues

Journal of chemical theory and computation

Journal of chemical information and modeling

The journal of physical chemistry. B

The journal of physical chemistry letters

Istituto Italiano di Tecnologia

University of Trento (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Istituto Italiano di Tecnologia Jul 01 2014

Italy

Senior Scientist :: CONCEPT Lab

Istituto Italiano di Tecnologia Oct 01 2008 - Jun 30 2014

Italy

Team Leader :: Drug Discovery and Development Department

Scuola Normale Superiore Oct 01 2005 - Sep 30 2008

Italy

Research Assistant Professor :: Laboratorio NEST

Education History

University of Trento - Feb 18 2000

Italy

PHD

Publications

Rika Tandiana, German P Barletta, Miguel Angel Soler, Sara Fortuna, Walter Rocchia
Computational Mutagenesis of Antibody Fragments: Disentangling Side Chains from ΔΔ G Predictions. Journal of chemical theory and computation 20 (6) (2024)
Rika Tandiana, German P Barletta, Miguel Angel Soler, Sara Fortuna, Walter Rocchia
Computational Mutagenesis of Antibody Fragments: Disentangling Side Chains from ΔΔ G Predictions. Journal of chemical theory and computation (2024)
Stefano Bosio, Mattia Bernetti, Walter Rocchia, Matteo Masetti
Similarities and Differences in Ligand Binding to Protein and RNA Targets: The Case of Riboflavin. Journal of chemical information and modeling 64 (11) (2024)
German Patricio Barletta, Rika Tandiana, Miguel Angel Soler, Sara Fortuna, Walter Rocchia
Locuaz: an in silico platform for protein binders optimization. Bioinformatics (Oxford, England) 40 (8) (2024)
Rika Tandiana, German P Barletta, Miguel Angel Soler, Sara Fortuna, Walter Rocchia
Computational Mutagenesis of Antibody Fragments: Disentangling Side Chains from ΔΔ G Predictions. Journal of chemical theory and computation 20 (6) (2024)
Stefano Bosio, Mattia Bernetti, Walter Rocchia, Matteo Masetti
Similarities and Differences in Ligand Binding to Protein and RNA Targets: The Case of Riboflavin. Journal of chemical information and modeling (2024)
German Patricio Barletta, Rika Tandiana, Miguel Angel Soler, Sara Fortuna, Walter Rocchia
Locuaz: an in silico platform for protein binders optimization. Bioinformatics (Oxford, England) 40 (8) (2024)
Wei Yang, Walter Rocchia
Biomolecular Electrostatic Phenomena: An Evergreen Field. The journal of physical chemistry. B 127 (18) (2023)
Ali Douaki, Annina Stuber, Julian Hengsteler, Dmitry Momotenko, David M Rogers, Walter Rocchia, Jonathan D Hirst, Nako Nakatsuka, Denis Garoli
Theoretical analysis of divalent cation effects on aptamer recognition of neurotransmitter targets. Chemical communications (Cambridge, England) (2023)
Luca Gagliardi, Walter Rocchia
SiteFerret: Beyond Simple Pocket Identification in Proteins. Journal of chemical theory and computation (2023)
Sergii V Siryk, Walter Rocchia
Arbitrary-Shape Dielectric Particles Interacting in the Linearized Poisson-Boltzmann Framework: An Analytical Treatment. The journal of physical chemistry. B (2022)
Manuel Antonio Ruiz-Rodríguez, Christopher D Cooper, Walter Rocchia, Mosè Casalegno, Yossef López de Los Santos, Guido Raos
Modeling of the Electrostatic Interaction and Catalytic Activity of [NiFe] Hydrogenases on a Planar Electrode. The journal of physical chemistry. B 126 (43) (2022)
Pedro B P S Reis, Marco Bertolini, Floriane Montanari, Walter Rocchia, Miguel Machuqueiro, Djork-Arné Clevert
A Fast and Interpretable Deep Learning Approach for Accurate Electrostatics-Driven p K a Predictions in Proteins. Journal of chemical theory and computation 18 (8) (2022)
Nicola Scafuri, Miguel Angel Soler, Andrea Spitaleri, Walter Rocchia
Enhanced Molecular Dynamics Method to Efficiently Increase the Discrimination Capability of Computational Protein-Protein Docking. Journal of chemical theory and computation 17 (11) (2021)
Laura Riccardi, Sergio Decherchi, Walter Rocchia, Giordano Zanoni, Andrea Cavalli, Fabrizio Mancin, Marco De Vivo
Molecular Recognition by Gold Nanoparticle-Based Receptors as Defined through Surface Morphology and Pockets Fingerprint. The journal of physical chemistry letters 12 (23) (2021)
Sergii V Siryk, Artemi Bendandi, Alberto Diaspro, Walter Rocchia
Charged dielectric spheres interacting in electrolytic solution: A linearized Poisson-Boltzmann equation model. The Journal of chemical physics 155 (11) (2021)
Pedro B P S Reis, Diogo Vila-Viçosa, Walter Rocchia, Miguel Machuqueiro
PypKa: A Flexible Python Module for Poisson-Boltzmann-Based pKa Calculations. Journal of chemical information and modeling 60 (10) (2020)
Andrea Spitaleri, Syeda R Zia, Patrizio Di Micco, Bissan Al-Lazikani, Miguel Angel Soler, Walter Rocchia
Tuning Local Hydration Enables a Deeper Understanding of Protein-Ligand Binding: The PP1-Src Kinase Case. The journal of physical chemistry letters 12 (1) (2020)
Sergio Decherchi, Giovanni Bottegoni, Andrea Spitaleri, Walter Rocchia, Andrea Cavalli
BiKi Life Sciences: A New Suite for Molecular Dynamics and Related Methods in Drug Discovery. Journal of chemical information and modeling 58 (2) (2018)
Andrea Spitaleri, Sergio Decherchi, Andrea Cavalli, Walter Rocchia
Fast Dynamic Docking Guided by Adaptive Electrostatic Bias: The MD-Binding Approach. Journal of chemical theory and computation 14 (3) (2018)
Mauro Lapelosa, Oscar Burrone, Walter Rocchia
Specific Residue Interactions Regulate the Binding of Dengue Antigens to Broadly Neutralizing EDE Antibodies. ChemistryOpen 7 (8) (2018)
Ivan Vyalov, Walter Rocchia
Including diverging electrostatic potential in 3D-RISM theory: The charged wall case. The Journal of chemical physics 148 (11) (2018)
Sergio Decherchi, Giovanni Bottegoni, Andrea Spitaleri, Walter Rocchia, Andrea Cavalli
Addendum to BiKi Life Sciences: A New Suite for Molecular Dynamics and Related Methods in Drug Discovery. Journal of chemical information and modeling 58 (8) (2018)
Francesco Fracchia, Gianluca Del Frate, Giordano Mancini, Walter Rocchia, Vincenzo Barone
Force Field Parametrization of Metal Ions from Statistical Learning Techniques. Journal of chemical theory and computation 14 (1) (2017)

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Publication Activity (10 Years)

Top Topics

Top Venues

Walter Rocchia