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Walter Rocchia
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2020 – today
- 2024
- [j20]Karthikeyan Kalyanasundaram Balasubramanian
, Mirco Di Salvo, Walter Rocchia
Designing RISC-V Instruction Set Extensions for Artificial Neural Networks: An LLVM Compiler-Driven Perspective. IEEE Access 12: 55925-55944 (2024) - [j19]Stefano Bosio, Mattia Bernetti
Similarities and Differences in Ligand Binding to Protein and RNA Targets: The Case of Riboflavin. J. Chem. Inf. Model. 64(11): 4570-4586 (2024) - 2023
- [j18]Miguel A. Soler
Replica-exchange optimization of antibody fragments. Comput. Biol. Chem. 103: 107819 (2023) - 2022
- [j17]Luca Gagliardi
SHREC 2022: Protein-ligand binding site recognition. Comput. Graph. 107: 20-31 (2022) - 2021
- [j16]Andrea Raffo
SHREC 2021: Retrieval and classification of protein surfaces equipped with physical and chemical properties. Comput. Graph. 99: 1-21 (2021) - [i2]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:
Pandemic Drugs at Pandemic Speed: Accelerating COVID-19 Drug Discovery with Hybrid Machine Learning- and Physics-based Simulations on High Performance Computers. CoRR abs/2103.02843 (2021) - 2020
- [j15]Pedro B. P. S. Reis, Diogo Vila-Viçosa
PypKa: A Flexible Python Module for Poisson-Boltzmann-Based pKa Calculations. J. Chem. Inf. Model. 60(10): 4442-4448 (2020)
2010 – 2019
- 2019
- [j14]Sergio Decherchi, Andrea Spitaleri
NanoShaper-VMD interface: computing and visualizing surfaces, pockets and channels in molecular systems. Bioinform. 35(7): 1241-1243 (2019) - [j13]Edoardo Ragusa
Cognitive Insights into Sentic Spaces Using Principal Paths. Cogn. Comput. 11(5): 656-675 (2019) - [j12]Marco Jacopo Ferrarotti
Finding Principal Paths in Data Space. IEEE Trans. Neural Networks Learn. Syst. 30(8): 2449-2462 (2019) - 2018
- [j11]Sergio Decherchi
BiKi Life Sciences: A New Suite for Molecular Dynamics and Related Methods in Drug Discovery. J. Chem. Inf. Model. 58(2): 219-224 (2018) - [j10]Sergio Decherchi
Addendum to BiKi Life Sciences: A New Suite for Molecular Dynamics and Related Methods in Drug Discovery. J. Chem. Inf. Model. 58(8): 1721 (2018) - 2017
- [j9]Sergio Decherchi
Import Vector Domain Description: A Kernel Logistic One-Class Learning Algorithm. IEEE Trans. Neural Networks Learn. Syst. 28(7): 1722-1729 (2017) - [i1]Marco Jacopo Ferrarotti, Sergio Decherchi, Walter Rocchia:
Distributed Kernel K-Means for Large Scale Clustering. CoRR abs/1710.03013 (2017) - 2015
- [j8]Francesca Spyrakis
A Pipeline To Enhance Ligand Virtual Screening: Integrating Molecular Dynamics and Fingerprints for Ligand and Proteins. J. Chem. Inf. Model. 55(10): 2256-2274 (2015) - 2014
- [j7]José Colmenares, Jesús Ortiz
GPU linear and non-linear Poisson-Boltzmann solver module for DelPhi. Bioinform. 30(4): 569-570 (2014) - [j6]Daniele D'Agostino
CUDA accelerated molecular surface generation. Concurr. Comput. Pract. Exp. 26(10): 1819-1831 (2014) - [j5]Jagdish Suresh Patel
Steered Molecular Dynamics Simulations for Studying Protein-Ligand Interaction in Cyclin-Dependent Kinase 5. J. Chem. Inf. Model. 54(2): 470-480 (2014) - 2013
- [c3]José Colmenares, Jesús Ortiz
Solving the Linearized Poisson-Boltzmann Equation on GPUs Using CUDA. PDP 2013: 420-426 - 2011
- [c2]Daniele D'Agostino
CUDA Accelerated Blobby Molecular Surface Generation. PPAM (1) 2011: 347-356
2000 – 2009
- 2009
- [j4]Sara Bonella
SDPhound, a Mutual Information-Based Method to Investigate Specificity-Determining Positions. Algorithms 2(2): 764-789 (2009) - 2006
- [c1]Giovanni Bottegoni
AClAP, Autonomous hierarchical agglomerative Cluster Analysis based protocol to partition conformational datasets. ISMB (Supplement of Bioinformatics) 2006: 58-65 - 2005
- [j3]Walter Rocchia
Poisson-boltzmann equation boundary conditions for biological applications. Math. Comput. Model. 41(10): 1109-1118 (2005) - 2004
- [j2]Goran Neshich, Walter Rocchia
JavaProtein Dossier: a novel web-based data visualization tool for comprehensive analysis of protein structure. Nucleic Acids Res. 32(Web-Server-Issue): 595-601 (2004) - 2002
- [j1]Walter Rocchia
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. 23(1): 128-137 (2002)
Coauthor Index
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last updated on 2024-10-07 21:25 CEST by the dblp team
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