Toward a General Yet Effective Computational Approach for Diffusive Problems: Variable Diffusion Tensor and DVR Solution of the Smoluchowski Equation along a General One-Dimensional Coordinate-Reference-Cited by-同舟云学术

Toward a General Yet Effective Computational Approach for Diffusive Problems: Variable Diffusion Tensor and DVR Solution of the Smoluchowski Equation along a General One-Dimensional Coordinate

Published:2016-07-25 Issue:8 Volume:12 Page:3482-3490
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Piserchia Andrea¹,Barone Vincenzo¹

Affiliation:

1. Scuola Normale Superiore, piazza dei Cavalieri 7, I-56126 Pisa, Italy

Funder

European Commission

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.6b00388

Reference62 articles.

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2. HYDRONMR: Prediction of NMR Relaxation of Globular Proteins from Atomic-Level Structures and Hydrodynamic Calculations

3. Hydrodynamic modeling of diffusion tensor properties of flexible molecules

4. Formulation of the reaction coordinate

5. Essential dynamics of proteins

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