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W

Walter Rocchia

Fondazione Istituto Italiano di Tecnologia

34H指数
137论文数
4.9K被引数
收录论文 48
发表时间
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NextGenPB: An analytically-enabled super resolution tool for solving the Poisson-Boltzmann Equation featuring local (de)refinementNextGenPB：一种具有局部(去)细化功能的、能够进行解析的用于求解泊松-玻尔兹曼方程的超分辨率工具
errComputer Physics Communications
IF3.4
err2025-08-27
err0
errOAAI
errVincenzo Di Florio; Patrizio Ansalone; Sergii V. Siryk; Sergio Decherchi; Carlo de Falco; Walter Rocchia
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NanoShaperWeb: Molecular Surface and Pocket Detection Made VisualNanoShaperWeb: 分子表面和口袋检测可视化
errJournal of Chemical Information and Modeling
IF5.3
err2025-06-30
err0
errOAAI
errCarlo Abate; Eleonora Serra; Walter Rocchia; Andrea Cavalli; Sergio Decherchi
err分享
err收藏
Learning to utilize internal protein 3D nanoenvironment descriptors in predicting CRISPR-Cas9 off-target activity学习利用内部蛋白质3D纳米环境描述符来预测CRISPR-Cas9脱靶活性
errgenomics proteomics bioinformatics
IF2.8
err2025-05-21
err0
errOAAI
errMak, Jeffrey Kelvin; Bendandi, Artemi; Salim, Jose Augusto; Mazoni, Ivan; de Moraes, Fabio Rogerio; Borro, Luiz; Stoertz, Florian; Rocchia, Walter; Neshich, Goran; Minary, Peter
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Bluues_cplx: Electrostatics at Protein-Protein and Protein-Ligand Interfaces
errMOLECULES
IF4.6
err2025-01-03
err0
errOAAI
errSoler, Miguel Angel; Yakout, Rayyan Bassem Adel; Ozkilinc, Ozge; Esposito, Gennaro; Rocchia, Walter; Klein, Christian; Fogolari, Federico
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Similarities and Differences in Ligand Binding to Protein and RNA Targets: The Case of Riboflavin
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-05-27
err0
PREAI
errBosio, Stefano; Bernetti, Mattia; Rocchia, Walter; Masetti, Matteo
err分享
err收藏
Computational Mutagenesis of Antibody Fragments: Disentangling Side Chains from ΔΔG Predictions
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-03-06
err2
PREAI
errTandiana, Rika; Barletta, German P.; Soler, Miguel Angel; Fortuna, Sara; Rocchia, Walter
err分享
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Designing RISC-V Instruction Set Extensions for Artificial Neural Networks: An LLVM Compiler-Driven Perspective为人工神经网络设计risc-v指令集扩展: LLVM编译器驱动的观点
errIEEE ACCESS
IF3.6
err2024-01-01
err1
errOAAI
errBalasubramanian, Karthikeyan Kalyanasundaram; Salvo, Mirco Di; Rocchia, Walter; Decherchi, Sergio; Crepaldi, Marco
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SiteFerret: Beyond Simple Pocket Identification in Proteins
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-07-20
err4
errOAAI
errGagliardi, Luca; Rocchia, Walter
err分享
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Theoretical analysis of divalent cation effects on aptamer recognition of neurotransmitter targets
errCHEMICAL COMMUNICATIONS
IF4.2
err2023-01-01
err7
errOAAI
errDouaki, Ali; Stuber, Annina; Hengsteler, Julian; Momotenko, Dmitry; Rogers, David M.; Rocchia, Walter; Hirst, Jonathan D.; Nakatsuka, Nako; Garoli, Denis
err分享
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Chanalyzer: A Computational Geometry Approach for the Analysis of Protein Channel Shape and Dynamics
errFRONTIERS IN MOLECULAR BIOSCIENCES
IF4
err2022-07-25
err2
errOAAI
errRaffo, Andrea; Gagliardi, Luca; Fugacci, Ulderico; Sagresti, Luca; Grandinetti, Simone; Brancato, Giuseppe; Biasotti, Silvia; Rocchia, Walter
err分享
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A Fast and Interpretable Deep Learning Approach for Accurate Electrostatics-Driven pKa Predictions in Proteins
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-07-15
err18
errOAAI
errReis, Pedro B. P. S.; Bertolini, Marco; Montanari, Floriane; Rocchia, Walter; Machuqueiro, Miguel; Clevert, Djork-Arne
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Antibody-Antigen Binding Interface Analysis in the Big Data Era
errFRONTIERS IN MOLECULAR BIOSCIENCES
IF4
err2022-07-14
err20
errOAAI
errReis, Pedro B. P. S.; Barletta, German P.; Gagliardi, Luca; Fortuna, Sara; Soler, Miguel A.; Rocchia, Walter
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Enhanced Molecular Dynamics Method to Efficiently Increase the Discrimination Capability of Computational Protein-Protein Docking
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-10-15
err9
errOAAI
errScafuri, Nicola; Soler, Miguel A.; Spitaleri, Andrea; Rocchia, Walter
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Pandemic drugs at pandemic speed: infrastructure for accelerating COVID-19 drug discovery with hybrid machine learning- and physics-based simulations on high-performance computers
errINTERFACE FOCUS
IF4
err2021-10-12
err11
errOAAI
errBhati, Agastya P.; Wan, Shunzhou; Alfe, Dario; Clyde, Austin R.; Bode, Mathis; Tan, Li; Titov, Mikhail; Merzky, Andre; Turilli, Matteo; Jha, Shantenu; Highfield, Roger R.; Rocchia, Walter; Scafuri, Nicola; Succi, Sauro; Kranzlmueller, Dieter; Mathias, Gerald; Wifling, David; Donon, Yann; Di Meglio, Alberto; Vallecorsa, Sofia; Ma, Heng; Trifan, Anda; Ramanathan, Arvind; Brettin, Tom; Partin, Alexander; Xia, Fangfang; Duan, Xiaotan; Stevens, Rick; Coveney, Peter V.
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Grouping Hypotheses and an Integrated Approach to Testing and Assessment of Nanomaterials Following Oral Ingestion
errNANOMATERIALS
IF4.3
err2021-10-07
err23
errOAAI
errDi Cristo, Luisana; Oomen, Agnes G.; Dekkers, Susan; Moore, Colin; Rocchia, Walter; Murphy, Fiona; Johnston, Helinor J.; Janer, Gemma; Haase, Andrea; Stone, Vicki; Sabella, Stefania
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Charged dielectric spheres interacting in electrolytic solution: A linearized Poisson-Boltzmann equation model
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-09-21
err14
PREAI
errSiryk, Sergii V.; Bendandi, Artemi; Diaspro, Alberto; Rocchia, Walter
err分享
err收藏
Adaptive nanopores: A bioinspired label-free approach for protein sequencing and identification自适应纳米孔: 一种用于蛋白质测序和鉴定的生物启发的无标记方法
errNANO RESEARCH
IF9
err2020-09-30
err12
errOAAI
errSpitaleri, Andrea; Garoli, Denis; Schuette, Moritz; Lehrach, Hans; Rocchia, Walter; De Angelis, Francesco
err分享
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PypKa: A Flexible Python Module for Poisson-Boltzmann-Based pKa Calculations
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2020-08-28
err45
PREAI
errReis, Pedro B. P. S.; Vila-Vicosa, Diogo; Rocchia, Walter; Machuqueiro, Miguel
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Chromatin Compaction Multiscale Modeling: A Complex Synergy Between Theory, Simulation, and Experiment
errFRONTIERS IN MOLECULAR BIOSCIENCES
IF4
err2020-02-25
err18
errOAAI
errBendandi, Artemi; Dante, Silvia; Zia, Syeda Rehana; Diaspro, Alberto; Rocchia, Walter
err分享
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Binding and Internalization in Receptor-Targeted Carriers: The Complex Role of CD44 in the Uptake of Hyaluronic Acid-Based Nanoparticles (siRNA Delivery)受体靶向载体的结合和内化: CD44在透明质酸纳米颗粒摄取中的复杂作用 (siRNA递送)
errADVANCED HEALTHCARE MATERIALS
IF9.6
err2019-11-18
err48
errOAAI
errde la Rosa, Julio M. Rios; Pingrajai, Ponpawee; Pelliccia, Maria; Spadea, Alice; Lallana, Enrique; Gennari, Arianna; Stratford, Ian J.; Rocchia, Walter; Tirella, Annalisa; Tirelli, Nicola
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