Fiorin G - Search Results

1

Expanded Functionality and Portability for the Colvars Library.

Fiorin G, Marinelli F, Forrest LR, Chen H, Chipot C, Kohlmeyer A, Santuz H, Hénin J. Fiorin G, et al. J Phys Chem B. 2024 Nov 14;128(45):11108-11123. doi: 10.1021/acs.jpcb.4c05604. Epub 2024 Nov 5. J Phys Chem B. 2024. PMID: 39501453

2

Exploring Multidimensional Free Energy Landscapes Using Time-Dependent Biases on Collective Variables.

Hénin J, Fiorin G, Chipot C, Klein ML. Hénin J, et al. Among authors: fiorin g. J Chem Theory Comput. 2010 Jan 12;6(1):35-47. doi: 10.1021/ct9004432. Epub 2009 Dec 3. J Chem Theory Comput. 2010. PMID: 26614317

3

Direct Derivation of Free Energies of Membrane Deformation and Other Solvent Density Variations From Enhanced Sampling Molecular Dynamics.

Fiorin G, Marinelli F, Faraldo-Gómez JD. Fiorin G, et al. J Comput Chem. 2020 Feb 15;41(5):449-459. doi: 10.1002/jcc.26075. Epub 2019 Oct 11. J Comput Chem. 2020. PMID: 31602694 Free PMC article.

4

Human Learning for Molecular Simulations: The Collective Variables Dashboard in VMD.

Hénin J, Lopes LJS, Fiorin G. Hénin J, et al. Among authors: fiorin g. J Chem Theory Comput. 2022 Mar 8;18(3):1945-1956. doi: 10.1021/acs.jctc.1c01081. Epub 2022 Feb 10. J Chem Theory Comput. 2022. PMID: 35143194

5

Structural Characterization of Biomolecules through Atomistic Simulations Guided by DEER Measurements.

Marinelli F, Fiorin G. Marinelli F, et al. Among authors: fiorin g. Structure. 2019 Feb 5;27(2):359-370.e12. doi: 10.1016/j.str.2018.10.013. Epub 2018 Dec 6. Structure. 2019. PMID: 30528595 Free PMC article.

6

Membrane free-energy landscapes derived from atomistic dynamics explain nonuniversal cholesterol-induced stiffening.

Fiorin G, Forrest LR, Faraldo-Gómez JD. Fiorin G, et al. PNAS Nexus. 2023 Aug 17;2(8):pgad269. doi: 10.1093/pnasnexus/pgad269. eCollection 2023 Aug. PNAS Nexus. 2023. PMID: 37637198 Free PMC article.

7

Scalable molecular dynamics on CPU and GPU architectures with NAMD.

Phillips JC, Hardy DJ, Maia JDC, Stone JE, Ribeiro JV, Bernardi RC, Buch R, Fiorin G, Hénin J, Jiang W, McGreevy R, Melo MCR, Radak BK, Skeel RD, Singharoy A, Wang Y, Roux B, Aksimentiev A, Luthey-Schulten Z, Kalé LV, Schulten K, Chipot C, Tajkhorshid E. Phillips JC, et al. Among authors: fiorin g. J Chem Phys. 2020 Jul 28;153(4):044130. doi: 10.1063/5.0014475. J Chem Phys. 2020. PMID: 32752662 Free PMC article.

8

Large-scale state-dependent membrane remodeling by a transporter protein.

Zhou W, Fiorin G, Anselmi C, Karimi-Varzaneh HA, Poblete H, Forrest LR, Faraldo-Gómez JD. Zhou W, et al. Among authors: fiorin g. Elife. 2019 Dec 19;8:e50576. doi: 10.7554/eLife.50576. Elife. 2019. PMID: 31855177 Free PMC article.

9

Exploring Histidine Conformations in the M2 Channel Lumen of the Influenza A Virus at Neutral pH via Molecular Simulations.

Dong H, Fiorin G, Degrado WF, Klein ML. Dong H, et al. Among authors: fiorin g. J Phys Chem Lett. 2013 Sep 19;4(18):3067-3071. doi: 10.1021/jz401672h. Epub 2013 Aug 28. J Phys Chem Lett. 2013. PMID: 24069512 Free PMC article.

10

Counterion-assisted cation transport in a biological calcium channel.

Dong H, Klein ML, Fiorin G. Dong H, et al. Among authors: fiorin g. J Phys Chem B. 2014 Aug 14;118(32):9668-76. doi: 10.1021/jp5059897. Epub 2014 Aug 5. J Phys Chem B. 2014. PMID: 25068680

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