Walter Rocchia

28 papers C 1Journal 25Unranked 2
YearRankTypeTitle / Venue / Authors
2026 J jnl
Patch-Based Ray Tracing in NanoShaper Boosts Molecular Surface Computation.
J. Chem. Inf. Model.
Marco Domenico Mazzeo, Vincenzo Di Florio, Walter Rocchia, Sergio Decherchi
2025 J jnl
NanoShaperWeb: Molecular Surface and Pocket Detection Made Visual.
J. Chem. Inf. Model.
Carlo Abate, Eleonora Serra, Walter Rocchia, Andrea Cavalli, Sergio Decherchi
2025 J jnl
NextGenPB: An analytically-enabled super resolution tool for solving the Poisson-Boltzmann equation featuring local (de)refinement.
Comput. Phys. Commun.
Vincenzo Di Florio, Patrizio Ansalone, Sergii V. Siryk, Sergio Decherchi, Carlo de Falco, Walter Rocchia
2024 J jnl
Designing RISC-V Instruction Set Extensions for Artificial Neural Networks: An LLVM Compiler-Driven Perspective.
IEEE Access
Karthikeyan Kalyanasundaram Balasubramanian, Mirco Di Salvo, Walter Rocchia, Sergio Decherchi, Marco Crepaldi
2024 J jnl
Locuaz: an
Bioinform.
German P. Barletta, Rika Tandiana, Miguel A. Soler, Sara Fortuna, Walter Rocchia
2024 J jnl
Similarities and Differences in Ligand Binding to Protein and RNA Targets: The Case of Riboflavin.
J. Chem. Inf. Model.
Stefano Bosio, Mattia Bernetti, Walter Rocchia, Matteo Masetti
2023 J jnl
Replica-exchange optimization of antibody fragments.
Comput. Biol. Chem.
Miguel A. Soler, Nikola Minovski, Walter Rocchia, Sara Fortuna
2022 J jnl
SHREC 2022: Protein-ligand binding site recognition.
Comput. Graph.
Luca Gagliardi, Andrea Raffo, Ulderico Fugacci, Silvia Biasotti, Walter Rocchia, Hao Huang, Boulbaba Ben Amor, Yi Fang, Yuanyuan Zhang, Xiao Wang, Charles Christoffer, Daisuke Kihara, Apostolos Axenopoulos, Stelios K. Mylonas, Petros Daras
2021 J jnl
Pandemic Drugs at Pandemic Speed: Accelerating COVID-19 Drug Discovery with Hybrid Machine Learning- and Physics-based Simulations on High Performance Computers.
CoRR
Agastya P. Bhati, Shunzhou Wan, Dario Alfè, Austin R. Clyde, Mathis Bode, Li Tan, Mikhail Titov, André Merzky, Matteo Turilli, Shantenu Jha, Roger R. Highfield, Walter Rocchia, Nicola Scafuri, Sauro Succi, Dieter Kranzlmüller, Gerald Mathias, David Wifling, Yann Donon, Alberto Di Meglio, Sofia Vallecorsa, Heng Ma, Anda Trifan, Arvind Ramanathan, Tom Brettin, Alexander Partin, Fangfang Xia, Xiaotan Duan, Rick Stevens, Peter V. Coveney
2021 J jnl
SHREC 2021: Retrieval and classification of protein surfaces equipped with physical and chemical properties.
Comput. Graph.
Andrea Raffo, Ulderico Fugacci, Silvia Biasotti, Walter Rocchia, Yonghuai Liu, Ekpo Otu, Reyer Zwiggelaar, David Hunter, Evangelia I. Zacharaki, Eleftheria Psatha, Dimitrios Laskos, Gerasimos Arvanitis, Konstantinos Moustakas, Tunde Aderinwale, Charles Christoffer, Woong-Hee Shin, Daisuke Kihara, Andrea Giachetti, Huu-Nghia Nguyen, Tuan-Duy Nguyen, Vinh-Thuyen Nguyen-Truong, Danh Le-Thanh, Hai-Dang Nguyen, Minh-Triet Tran
2020 J jnl
PypKa: A Flexible Python Module for Poisson-Boltzmann-Based pKa Calculations.
J. Chem. Inf. Model.
Pedro B. P. S. Reis, Diogo Vila-Viçosa, Walter Rocchia, Miguel Machuqueiro
2019 J jnl
Cognitive Insights into Sentic Spaces Using Principal Paths.
Cogn. Comput.
Edoardo Ragusa, Paolo Gastaldo, Rodolfo Zunino, Marco Jacopo Ferrarotti, Walter Rocchia, Sergio Decherchi
2019 J jnl
Finding Principal Paths in Data Space.
IEEE Trans. Neural Networks Learn. Syst.
Marco Jacopo Ferrarotti, Walter Rocchia, Sergio Decherchi
2019 J jnl
NanoShaper-VMD interface: computing and visualizing surfaces, pockets and channels in molecular systems.
Bioinform.
Sergio Decherchi, Andrea Spitaleri, John E. Stone, Walter Rocchia
2018 J jnl
Addendum to BiKi Life Sciences: A New Suite for Molecular Dynamics and Related Methods in Drug Discovery.
J. Chem. Inf. Model.
Sergio Decherchi, Giovanni Bottegoni, Andrea Spitaleri, Walter Rocchia, Andrea Cavalli
2018 J jnl
BiKi Life Sciences: A New Suite for Molecular Dynamics and Related Methods in Drug Discovery.
J. Chem. Inf. Model.
Sergio Decherchi, Giovanni Bottegoni, Andrea Spitaleri, Walter Rocchia, Andrea Cavalli
2017 J jnl
Distributed Kernel K-Means for Large Scale Clustering.
CoRR
Marco Jacopo Ferrarotti, Sergio Decherchi, Walter Rocchia
2017 J jnl
Import Vector Domain Description: A Kernel Logistic One-Class Learning Algorithm.
IEEE Trans. Neural Networks Learn. Syst.
Sergio Decherchi, Walter Rocchia
2015 J jnl
A Pipeline To Enhance Ligand Virtual Screening: Integrating Molecular Dynamics and Fingerprints for Ligand and Proteins.
J. Chem. Inf. Model.
Francesca Spyrakis, Paolo Benedetti, Sergio Decherchi, Walter Rocchia, Andrea Cavalli, Stefano Alcaro, Francesco Ortuso, Massimo Baroni, Gabriele Cruciani
2014 J jnl
CUDA accelerated molecular surface generation.
Concurr. Comput. Pract. Exp.
Daniele D'Agostino, Andrea Clematis, Sergio Decherchi, Walter Rocchia, Luciano Milanesi, Ivan Merelli
2014 J jnl
GPU linear and non-linear Poisson-Boltzmann solver module for DelPhi.
Bioinform.
José Colmenares, Jesús Ortiz, Walter Rocchia
2014 J jnl
Steered Molecular Dynamics Simulations for Studying Protein-Ligand Interaction in Cyclin-Dependent Kinase 5.
J. Chem. Inf. Model.
Jagdish Suresh Patel, Anna Berteotti, Simone Ronsisvalle, Walter Rocchia, Andrea Cavalli
2013 C conf
Solving the Linearized Poisson-Boltzmann Equation on GPUs Using CUDA.
PDP
José Colmenares, Jesús Ortiz, Sergio Decherchi, Amir Fijany, Walter Rocchia
2011 — conf
CUDA Accelerated Blobby Molecular Surface Generation.
PPAM (1)
Daniele D'Agostino, Sergio Decherchi, Antonella Galizia, José Colmenares, Alfonso Quarati, Walter Rocchia, Andrea Clematis
2009 J jnl
SDPhound, a Mutual Information-Based Method to Investigate Specificity-Determining Positions.
Algorithms
Sara Bonella, Walter Rocchia, Pietro Amat, Riccardo Nifosí, Valentina Tozzini
2006 — conf
AClAP, Autonomous hierarchical agglomerative Cluster Analysis based protocol to partition conformational datasets.
ISMB (Supplement of Bioinformatics)
Giovanni Bottegoni, Walter Rocchia, Maurizio Recanatini, Andrea Cavalli
2005 J jnl
Poisson-boltzmann equation boundary conditions for biological applications.
Math. Comput. Model.
Walter Rocchia
2002 J jnl
Rapid grid-based construction of the molecular surface and the use of induced surface charge to calculate reaction field energies: Applications to the molecular systems and geometric objects.
J. Comput. Chem.
Walter Rocchia, Sundaram Sridharan, Anthony Nicholls, Emil Alexov, Alessandro Chiabrera, Barry Honig