E-LIB Suche - Ergebnisse für: Rick, Steven W.

1

Calculations of Absolute Free Energies, Enthalpies, and Ent..:

Summa, Christopher M. ; Langford, Dillon P. ; Dinshaw, Sam H...
Journal of Chemical Theory and Computation. , 2024

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

2

Effects of polarizability and charge transfer on water dyna..:

Rick, Steven W. ; Thompson, Ward H.
The Journal of Chemical Physics. 158 (2023) 19 - p. , 2023

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

3

The pH Response of a Peptoid Oligomer:

Hwang, In Chul ; Rick, Steven W.
The Journal of Physical Chemistry B. 127 (2023) 12 - p. 2872-2878 , 2023

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

4

Simulation studies of polypeptoids using replica exchange w..:

Raubenolt, Bryan A. ; Rick, Steven W.
Journal of Computational Chemistry. 43 (2022) 18 - p. 1229-1236 , 2022

Link: https://doi.org/10.1002/..

5

Molecular dynamics simulations of the flexibility and inhib..:

Raubenolt, Bryan A. ; Islam, Naeyma N. ; Summa, Christoper M..
Journal of Molecular Graphics and Modelling. 112 (2022) - p. 108122 , 2022

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

6

Unraveling the Role of Charge Patterning in the Micellar St..:

Tsai, Erin ; Gallage Dona, Hishara Keshani ; Tong, Xinjie...
Macromolecules. 55 (2022) 12 - p. 5197-5212 , 2022

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

7

Molecular dynamics simulations of allosteric motions and co..:

Raubenolt, Bryan A. ; Wong, Katy ; Rick, Steven W.
Journal of Molecular Graphics and Modelling. 108 (2021) - p. 108001 , 2021

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

8

Insights into the Thermal Response of a Poly(ethylene oxide..:

Rick, Steven W.
The Journal of Physical Chemistry B. 125 (2021) 8 - p. 2167-2173 , 2021

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

9

An Implementation of Replica Exchange with Dynamical Scalin..:

Rick, Steven W. ; Schwing, Gregory J. ; Summa, Christopher M.
Journal of Chemical Information and Modeling. 61 (2021) 2 - p. 810-818 , 2021

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

10

Polarizable MD simulations of ionic liquids: How does addit..:

Schröder, Christian ; Lyons, Alex ; Rick, Steven W.
Physical Chemistry Chemical Physics. 22 (2020) 2 - p. 467-477 , 2020

Link: https://doi.org/10.1039/..

11

Analysis of Atomistic Potentials for Poly(ethylene glycol) ..:

Ottallah, Tasneem ; Parandian, Sophia A. ; Rick, Steven W.
Journal of Chemical Theory and Computation. 17 (2020) 1 - p. 315-321 , 2020

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

12

Water hydrogen degrees of freedom and the hydrophobic effec:

Islam, Naeyma ; Flint, Mahalia ; Rick, Steven W.
The Journal of Chemical Physics. 150 (2019) 1 - p. , 2019

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

13

Coarse-Grained Models for Constant pH Simulations of Carbox..:

Islam, Naeyma N. ; Sharma, Arjun ; Gyawali, Gaurav..
Journal of Chemical Theory and Computation. 15 (2019) 8 - p. 4623-4631 , 2019

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

14

Towards a coarse-grained model of the peptoid backbone: the..:

Du, Pu ; Rick, Steven W. ; Kumar, Revati
Physical Chemistry Chemical Physics. 20 (2018) 36 - p. 23386-23396 , 2018

Link: https://doi.org/10.1039/..

15

The influence of polarizability and charge transfer on spec..:

Nguyen, Mary ; Rick, Steven W.
The Journal of Chemical Physics. 148 (2018) 22 - p. , 2018

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