E-LIB Suche - Ergebnisse für: Asthagiri, Dilipkumar N.

1

Theory and modeling of molecular modes in the NMR relaxatio..:

Pinheiro dos Santos, Thiago J. ; Orcan-Ekmekci, Betul ; Chapman, Walter G...
The Journal of Chemical Physics. 160 (2024) 6 - p. , 2024

Link: https://doi.org/10.1063/..

2

Structural biology in the age of X-ray free-electron lasers..:

Mous, Sandra ; Poitevin, Frédéric ; Hunter, Mark S...
Current Opinion in Structural Biology. 86 (2024) - p. 102808 , 2024

Link: https://doi.org/10.1016/..

3

All-Atom Biomolecular Simulation in the Exascale Era:

Beck, Thomas L. ; Carloni, Paolo ; Asthagiri, Dilipkumar N.
Journal of Chemical Theory and Computation. , 2024

Link: https://doi.org/10.1021/..

4

Influence of Charge Block Length on Conformation and Soluti..:

Shi, Winnie H. ; Adhikari, Rohan S. ; Asthagiri, Dilipkumar N..
ACS Macro Letters. 12 (2023) 2 - p. 195-200 , 2023

Link: https://doi.org/10.1021/..

5

Polarizability Plays a Decisive Role in Modulating Associat..:

Herman, Chase E. ; Valiya Parambathu, Arjun ; Asthagiri, Dilipkumar N..
The Journal of Physical Chemistry Letters. 14 (2023) 31 - p. 7020-7026 , 2023

Link: https://doi.org/10.1021/..

6

MD Simulation of Water Using a Rigid Body Description Requi..:

Asthagiri, Dilipkumar N. ; Beck, Thomas L.
Journal of Chemical Theory and Computation. , 2023

Link: https://doi.org/10.1021/..

7

Hydration Free Energies of Polypeptides from Popular Implic..:

Adhikari, Rohan S. ; Parambathu, Arjun Valiya ; Chapman, Walter G..
The Journal of Physical Chemistry B. 126 (2022) 46 - p. 9607-9616 , 2022

Link: https://doi.org/10.1021/..

8

Comment on "Calculation of Solid–Fluid Interfacial Free Ene..:

Valiya Parambathu, Arjun ; Pinheiro dos Santos, Thiago J. ; Chapman, Walter G..
The Journal of Physical Chemistry A. 126 (2022) 10 - p. 1782-1783 , 2022

Link: https://doi.org/10.1021/..

9

Hydrated Anions: From Clusters to Bulk Solution with Quasi-..:

Gomez, Diego T. ; Pratt, Lawrence R. ; Asthagiri, Dilipkumar N..
Accounts of Chemical Research. 55 (2022) 16 - p. 2201-2212 , 2022

Link: https://doi.org/10.1021/..

10

Thermodynamics of Hydration from the Perspective of the Mol..:

Asthagiri, Dilipkumar N. ; Paulaitis, Michael E. ; Pratt, Lawrence R.
The Journal of Physical Chemistry B. 125 (2021) 30 - p. 8294-8304 , 2021

Link: https://doi.org/10.1021/..

11

Hydrophilic Interactions Dominate the Inverse Temperature D..:

Tomar, Dheeraj S. ; Paulaitis, Michael E. ; Pratt, Lawrence R..
The Journal of Physical Chemistry Letters. 11 (2020) 22 - p. 9965-9970 , 2020

Link: https://doi.org/10.1021/..

12

Equilibration between Translational and Rotational Modes in..:

Asthagiri, Dilipkumar N ; Beck, Thomas L
http://arxiv.org/abs/2308.08383. , 2023

Link: http://arxiv.org/abs/230..

13

Theory and modeling of molecular modes in the NMR relaxatio..:

Santos, Thiago J. Pinheiro dos ; Orcan-Ekmekci, Betul ; Chapman, Walter G..
http://arxiv.org/abs/2310.06106. , 2023

Link: http://arxiv.org/abs/231..

14

Hydrated Anions: From Clusters to Bulk Solution with Quasi-..:

Gomez, Diego T ; Pratt, Lawrence R ; Asthagiri, Dilipkumar N.
Gomez, Diego T., Pratt, Lawrence R., Asthagiri, Dilipkumar N., et al. "Hydrated Anions: From Clusters to Bulk Solution with Quasi-Chemical Theory." Accounts of Chemical Research, 55, no. 16 (2022) American Chemical Society: 2201-2212. https://doi.org/10.1021/acs.accounts.2c00078.. , 2022

Link: https://hdl.handle.net/1..

15

Hydrated Anions: From Clusters to Bulk Solution with Quasi-..:

Gomez, Diego T ; Pratt, Lawrence R ; Asthagiri, Dilipkumar N.
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9386901/. , 2022

Link: http://www.ncbi.nlm.nih...