Clementi C - Search Results

1

Machine learning implicit solvation for molecular dynamics.

Chen Y, Krämer A, Charron NE, Husic BE, Clementi C, Noé F. Chen Y, et al. Among authors: clementi c. J Chem Phys. 2021 Aug 28;155(8):084101. doi: 10.1063/5.0059915. J Chem Phys. 2021. PMID: 34470360

2

Modeling diffusive dynamics in adaptive resolution simulation of liquid water.

Matysiak S, Clementi C, Praprotnik M, Kremer K, Delle Site L. Matysiak S, et al. Among authors: clementi c. J Chem Phys. 2008 Jan 14;128(2):024503. doi: 10.1063/1.2819486. J Chem Phys. 2008. PMID: 18205455

3

Communication: On the locality of hydrogen bond networks at hydrophobic interfaces.

Lambeth BP Jr, Junghans C, Kremer K, Clementi C, Delle Site L. Lambeth BP Jr, et al. Among authors: clementi c. J Chem Phys. 2010 Dec 14;133(22):221101. doi: 10.1063/1.3522773. J Chem Phys. 2010. PMID: 21171675

4

Determination of reaction coordinates via locally scaled diffusion map.

Rohrdanz MA, Zheng W, Maggioni M, Clementi C. Rohrdanz MA, et al. Among authors: clementi c. J Chem Phys. 2011 Mar 28;134(12):124116. doi: 10.1063/1.3569857. J Chem Phys. 2011. PMID: 21456654

5

Polymer reversal rate calculated via locally scaled diffusion map.

Zheng W, Rohrdanz MA, Maggioni M, Clementi C. Zheng W, et al. Among authors: clementi c. J Chem Phys. 2011 Apr 14;134(14):144109. doi: 10.1063/1.3575245. J Chem Phys. 2011. PMID: 21495744

6

Molecular recognition of DNA by ligands: roughness and complexity of the free energy profile.

Zheng W, Vargiu AV, Rohrdanz MA, Carloni P, Clementi C. Zheng W, et al. Among authors: clementi c. J Chem Phys. 2013 Oct 14;139(14):145102. doi: 10.1063/1.4824106. J Chem Phys. 2013. PMID: 24116648 Free PMC article.

7

Fast recovery of free energy landscapes via diffusion-map-directed molecular dynamics.

Preto J, Clementi C. Preto J, et al. Among authors: clementi c. Phys Chem Chem Phys. 2014 Sep 28;16(36):19181-91. doi: 10.1039/c3cp54520b. Phys Chem Chem Phys. 2014. PMID: 24955434

8

A comparative analysis of clustering algorithms: O2 migration in truncated hemoglobin I from transition networks.

Cazade PA, Zheng W, Prada-Gracia D, Berezovska G, Rao F, Clementi C, Meuwly M. Cazade PA, et al. Among authors: clementi c. J Chem Phys. 2015 Jan 14;142(2):025103. doi: 10.1063/1.4904431. J Chem Phys. 2015. PMID: 25591387

9

Kinetic distance and kinetic maps from molecular dynamics simulation.

Noé F, Clementi C. Noé F, et al. Among authors: clementi c. J Chem Theory Comput. 2015 Oct 13;11(10):5002-11. doi: 10.1021/acs.jctc.5b00553. Epub 2015 Sep 11. J Chem Theory Comput. 2015. PMID: 26574285

10

Investigating Molecular Kinetics by Variationally Optimized Diffusion Maps.

Boninsegna L, Gobbo G, Noé F, Clementi C. Boninsegna L, et al. Among authors: clementi c. J Chem Theory Comput. 2015 Dec 8;11(12):5947-60. doi: 10.1021/acs.jctc.5b00749. Epub 2015 Nov 18. J Chem Theory Comput. 2015. PMID: 26580713

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