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2020
Sturla F. ,
Piatti F. ,
Jaworek M. ,
Lucherini F. ,
Pluchinotta F.R. ,
Siryk S.V.iit ,
Giese D. ,
Vismara R. ,
Tasca G. ,
Menicanti L. ,
Redaelli A. ,
Lombardi M.
4D Flow MRI hemodynamic benchmarking of surgical bioprosthetic valves
Magnetic Resonance Imaging, vol. 68, pp. 18-29
Article
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2020
Krasnoschok M. ,
Pata V. ,
Siryk S.V.iit ,
Vasylyeva N.
A subdiffusive Navier–Stokes–Voigt system
Physica D: Nonlinear Phenomena, vol. 409
Article
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2020
Bendandi A.iit ,
Dante S.iit ,
Zia S.R. ,
Diaspro A.iit ,
*Rocchia W.iit
Chromatin Compaction Multiscale Modeling: A Complex Synergy Between Theory, Simulation, and Experiment
Frontiers in Molecular Biosciences, vol. 7
Review
-
2020
*Huang J.iit ,
Mousavi M.iit ,
Giovannini G. ,
Zhao Y. ,
Hubarevich A. ,
Soler M. ,
Rocchia W.iit ,
*Garoli D.iit ,
De Angelis F.iit
Multiplex discrimination of single amino acid residues in polypeptides by single SERS hot spot
Angewandte Chemie
Article
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2019
Soler M.A.iit ,
Medagli B. ,
Semrau M.S. ,
Storici P. ,
Bajc G. ,
De Marco A. ,
Laio A. ,
Fortuna S.
A consensus protocol for the: In silico optimisation of antibody fragments
Chemical Communications, vol. 55, (no. 93), pp. 14043-14046
Article
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2019
Rios de la Rosa J.M. ,
Pingrajai P. ,
Pelliccia M. ,
Spadea A. ,
Lallana E. ,
Gennari A.iit ,
Stratford I.J. ,
Rocchia W.iit ,
Tirella A. ,
*Tirelli N.iit
Binding and Internalization in Receptor-Targeted Carriers: The Complex Role of CD44 in the Uptake of Hyaluronic Acid-Based Nanoparticles (siRNA Delivery)
Advanced healthcare materials, vol. 8, (no. 24)
Article
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2019
Ragusa E. ,
Gastaldo P. ,
Zunino R. ,
Ferrarotti M.J.iit ,
Rocchia W.iit ,
Decherchi S.iit
Cognitive Insights into Sentic Spaces Using Principal Paths
Cognitive Computation, vol. 11, (no. 5), pp. 656-675
Article
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2019
Ferrarotti M.J.iit ,
*Rocchia W.iit ,
Decherchi S.iit
Finding Principal Paths in Data Space
IEEE Transactions on Neural Networks and Learning Systems, vol. 30, (no. 8), pp. 2449-2462
Article
-
2019
*Soler M. A.iit
In silico design of protein binders for medical applications
INTEGRATIVE APPROACHES TO PROTEIN FOLDING & AGGREGATION
Abstract Report
-
2019
Bernetti M. ,
Masetti M. ,
*Rocchia W.iit ,
Cavalli A.iit
Kinetics of Drug Binding and Residence Time
Annual Review of Physical Chemistry, vol. 70, pp. 143-171
Review
-
2019
Bendandi A.iit ,
Dante S.iit ,
Diaspro A.iit ,
*Rocchia W.iit
Mesoscale bottom-up approach to the study of chromatin compaction: from single nucleosome to chromatin fibre
Italian Celebration Day for the 50 years of CECAM
Poster
-
2019
Bendandi A. ,
Dante S. ,
Diaspro A. ,
*Rocchia W.iit
Mesoscale bottom-up approach to the study of chromatin compaction: from single nucleosome to chromatin fibre
Computational Mathematics For Model Reduction and Predictive Modelling in Molecular and Complex Systems
Poster
-
2019
Spitaleri A. ,
*Rocchia W.iit
Molecular Dynamics-based approaches describing protein binding
Simulations in Structure-Based Drug Discovery, Publisher: Wiley-VCH
Book Chapter
-
2019
Decherchi S.iit ,
Spitaleri A.iit ,
Stone J. ,
*Rocchia W.iit
NanoShaper-VMD interface: Computing and visualizing surfaces, pockets and channels in molecular systems
Bioinformatics, vol. 35, (no. 7), pp. 1241-1243
Article
-
2019
Reis P. ,
Vila-Vicosa D. ,
*Rocchia W.iit ,
Machuqueiro M.
PypKa: A flexible Poisson-Boltzmann-based python API for pKa calculations
JOINT 12th EBSA congress and 10th ICBP – IUPAP congress, July 20-24, 2019, Madrid, Spain, vol. 48, pp. 196
Conference Paper
-
2019
Gagliardi L.iit ,
Pierre-Louis O.
The nonequilibrium crystallization force
Europhysics Letters, vol. 127, (no. 5)
Article
-
2018
*Rocchia W.iit
Allosteric communication networks in proteins revealed through pocket Crosstalk analysis
256th ACS National Meeting
Abstract Report
-
2018
Decherchi S.iit ,
Bottegoni G. ,
Spitaleri A.iit ,
*Rocchia W.iit ,
*Cavalli A.iit
BiKi Life Sciences: A New Suite for Molecular Dynamics and Related Methods in Drug Discovery
Journal of Chemical Information and Modeling, vol. 58, (no. 2), pp. 219-224
Article
-
2018
Lapelosa M.iit
Conformational dynamics and free energy of BHRF1 binding to Bim BH3
Biophysical Chemistry, vol. 232, pp. 22-28
Article
-
2018
Decherchi S.iit ,
Bottegoni G. ,
Spitaleri A.iit ,
*Rocchia W.iit ,
Cavalli A.iit
Erratum: Addendum to BiKi Life Sciences: A New Suite for Molecular Dynamics and Related Methods in Drug Discovery (Journal of chemical information and modeling (2018) 58 2 (219-224))
Journal of Chemical Information and Modeling, vol. 58, (no. 8)
Erratum
-
2018
Spitaleri A.iit ,
Decherchi S.iit ,
*Cavalli A.iit ,
*Rocchia W.iit
Fast Dynamic Docking Guided by Adaptive Electrostatic Bias: The MD-Binding Approach
Journal of Chemical Theory and Computation, vol. 14, (no. 3), pp. 1727-1736
Article
-
2018
Fracchia F. ,
Del Frate G. ,
Mancini G. ,
Rocchia W.iit ,
Barone V.
Force Field Parametrization of Metal Ions from Statistical Learning Techniques
Journal of Chemical Theory and Computation, vol. 14, (no. 1), pp. 255-273
Article
-
2018
Vyalov I.iit ,
*Rocchia W.iit
Including diverging electrostatic potential in 3D-RISM theory: The charged wall case
Journal of Chemical Physics, vol. 148, (no. 11)
Article
-
2018
Reis P. ,
Vila-Viçosa D. ,
*Rocchia W.iit ,
Machuqueiro M.
PypKa: a python module for flexible Poisson-Boltzmann based pKa calculations with proton tautomerism
FROM MOLECULES TO NETWORKS
Conference Paper
-
2018
Lapelosa M.iit ,
Burrone O. ,
*Rocchia W.iit
Specific Residue Interactions Regulate the Binding of Dengue Antigens to Broadly Neutralizing EDE Antibodies
ChemistryOpen, vol. 7, (no. 8), pp. 604-610
Article
