Luigi Cavallo - researchr alias

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Viewing Publication 1 - 11 from 11

2023

Influence of the complete basis set approximation, tight weighted-core, and diffuse functions on the DLPNO-CCSD(T1) atomization energies of neutral H,C,O-compoundsYury Minenkov, Luigi Cavallo, Kirk A. Peterson. jcc, 44(5):687-696, February 2023. [doi]

2020

The CASP13-CAPRI targets as case studies to illustrate a novel scoring pipeline integrating CONSRANK with clustering and interface analysesDidier Barradas-Bautista, Zhen Cao, Luigi Cavallo, Romina Oliva. bmcbi, 21-S(8):262, 2020. [doi]

2015

CONSRANK: a server for the analysis, comparison and ranking of docking models based on inter-residue contactsEdrisse Chermak, Andrea Petta, Luigi Serra, Anna Vangone, Vittorio Scarano, Luigi Cavallo, Romina Oliva. bioinformatics, 31(9):1481-1483, 2015. [doi]

2014

MDcons: Intermolecular contact maps as a tool to analyze the interface of protein complexes from molecular dynamics trajectoriesSafwat Abdel-Azeim, Edrisse Chermak, Anna Vangone, Romina Oliva, Luigi Cavallo. bmcbi, 15(S-5), 2014. [doi]

2013

Steric Maps to Evaluate the Role of Steric Hindrance On the IPr NHC LigandAlbert Poater, Laura Falivene, César A. Urbina-Blanco, Simone Manzini, Steven P. Nolan, Luigi Cavallo. iccs 2013: 845-854 [doi]

2012

CONS-COCOMAPS: a novel tool to measure and visualize the conservation of inter-residue contacts in multiple docking solutionsAnna Vangone, Romina Oliva, Luigi Cavallo. bmcbi, 13(S-4), 2012. [doi]

2011

Deactivation of Ru-benzylidene Grubbs catalysts active in olefin metathesisAlbert Poater, Francesco Ragone, Manel Garrido, Sònia Pérez, Manel Poch, Andrea Correa, Luigi Cavallo. procedia, 4:1222-1229, 2011. [doi]

COCOMAPS: a web application to analyze and visualize contacts at the interface of biomolecular complexesAnna Vangone, Raffaele Spinelli, Vittorio Scarano, Luigi Cavallo, Romina Oliva. bioinformatics, 27(20):2915-2916, 2011. [doi]

2009

Modeling the structure-property relationships of nanoneedles: A journey toward nanomedicineAlbert Poater, Ana Gallegos Saliner, Ramon Carbó-Dorca, Jordi Poater, Miquel Solà, Luigi Cavallo, Andrew P. Worth. jcc, 30(2):275-284, 2009. [doi]

2003

POPS: a fast algorithm for solvent accessible surface areas at atomic and residue levelLuigi Cavallo, Jens Kleinjung, Franca Fraternali. nar, 31(13):3364-3366, 2003.

2002

Parameter optimized surfaces (POPS): analysis of key interactions and conformational changes in the ribosomeFranca Fraternali, Luigi Cavallo. nar, 30(13):2950-2960, 2002.

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