Rocchia W - Search Results

1

Arbitrary-Shape Dielectric Particles Interacting in the Linearized Poisson-Boltzmann Framework: An Analytical Treatment.

Siryk SV, Rocchia W. Siryk SV, et al. Among authors: rocchia w. J Phys Chem B. 2022 Dec 15;126(49):10400-10426. doi: 10.1021/acs.jpcb.2c05564. Epub 2022 Dec 6. J Phys Chem B. 2022. PMID: 36473089 Free PMC article.

2

Probing Hydration Patterns in Class-A GPCRs via Biased MD: The A_2A Receptor.

Zia SR, Gaspari R, Decherchi S, Rocchia W. Zia SR, et al. Among authors: rocchia w. J Chem Theory Comput. 2016 Dec 13;12(12):6049-6061. doi: 10.1021/acs.jctc.6b00475. Epub 2016 Nov 10. J Chem Theory Comput. 2016. PMID: 27951680

3

Import Vector Domain Description: A Kernel Logistic One-Class Learning Algorithm.

Decherchi S, Rocchia W. Decherchi S, et al. Among authors: rocchia w. IEEE Trans Neural Netw Learn Syst. 2017 Jul;28(7):1722-1729. doi: 10.1109/TNNLS.2016.2547220. Epub 2016 Apr 12. IEEE Trans Neural Netw Learn Syst. 2017. PMID: 27093710

4

GPU linear and non-linear Poisson-Boltzmann solver module for DelPhi.

Colmenares J, Ortiz J, Rocchia W. Colmenares J, et al. Among authors: rocchia w. Bioinformatics. 2014 Feb 15;30(4):569-70. doi: 10.1093/bioinformatics/btt699. Epub 2013 Nov 30. Bioinformatics. 2014. PMID: 24292939 Free PMC article.

5

Implicit solvent methods for free energy estimation.

Decherchi S, Masetti M, Vyalov I, Rocchia W. Decherchi S, et al. Among authors: rocchia w. Eur J Med Chem. 2015 Feb 16;91:27-42. doi: 10.1016/j.ejmech.2014.08.064. Epub 2014 Aug 25. Eur J Med Chem. 2015. PMID: 25193298 Free PMC article. Review.

6

Molecular Recognition by Gold Nanoparticle-Based Receptors as Defined through Surface Morphology and Pockets Fingerprint.

Riccardi L, Decherchi S, Rocchia W, Zanoni G, Cavalli A, Mancin F, De Vivo M. Riccardi L, et al. Among authors: rocchia w. J Phys Chem Lett. 2021 Jun 17;12(23):5616-5622. doi: 10.1021/acs.jpclett.1c01365. Epub 2021 Jun 10. J Phys Chem Lett. 2021. PMID: 34110174 Free PMC article.

7

Charged dielectric spheres interacting in electrolytic solution: A linearized Poisson-Boltzmann equation model.

Siryk SV, Bendandi A, Diaspro A, Rocchia W. Siryk SV, et al. Among authors: rocchia w. J Chem Phys. 2021 Sep 21;155(11):114114. doi: 10.1063/5.0056120. J Chem Phys. 2021. PMID: 34551534

8

Modeling of the Electrostatic Interaction and Catalytic Activity of [NiFe] Hydrogenases on a Planar Electrode.

Ruiz-Rodríguez MA, Cooper CD, Rocchia W, Casalegno M, López de Los Santos Y, Raos G. Ruiz-Rodríguez MA, et al. Among authors: rocchia w. J Phys Chem B. 2022 Nov 3;126(43):8777-8790. doi: 10.1021/acs.jpcb.2c05371. Epub 2022 Oct 21. J Phys Chem B. 2022. PMID: 36269122 Free PMC article.

9

Biomolecular Electrostatic Phenomena: An Evergreen Field.

Yang W, Rocchia W. Yang W, et al. Among authors: rocchia w. J Phys Chem B. 2023 May 11;127(18):3979-3981. doi: 10.1021/acs.jpcb.3c02158. J Phys Chem B. 2023. PMID: 37165646 No abstract available.

10

A combined MPI-CUDA parallel solution of linear and nonlinear Poisson-Boltzmann equation.

Colmenares J, Galizia A, Ortiz J, Clematis A, Rocchia W. Colmenares J, et al. Among authors: rocchia w. Biomed Res Int. 2014;2014:560987. doi: 10.1155/2014/560987. Epub 2014 Jun 12. Biomed Res Int. 2014. PMID: 25013789 Free PMC article.

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