E-LIB Suche - Ergebnisse für: Cheatham III, Thomas

1

Sequence-dependent structural properties of B-DNA: what hav..:

da Rosa, Gabriela ; Grille, Leandro ; Calzada, Victoria...
Biophysical Reviews. 13 (2021) 6 - p. 995-1005 , 2021

Link: https://doi.org/10.1007/..

2

Fostering Collaboration Among Organizations in the Research..:

, In: Practice and Experience in Advanced Research Computing 2020: Catch the Wave,

Broude Geva, Sharon ; Brunson, Dana ; Cheatham III, Thomas... - p. 393-401 , 2020

Link: https://dl.acm.org/doi/1..

3

41 A full exploration of the conformational ensembles of nu..:

Cheatham III, Thomas
Journal of Biomolecular Structure and Dynamics. 33 (2015) sup1 - p. 28-28 , 2015

Link: https://doi.org/10.1080/..

4

μABC: a systematic microsecond molecular dynamics study of ..:

Pasi, Marco ; Maddocks, John H. ; Beveridge, David...
Nucleic Acids Research. 42 (2014) 19 - p. 12272-12283 , 2014

Link: https://doi.org/10.1093/..

5

A systematic molecular dynamics study of nearest-neighbor e..:

Lavery, Richard ; Zakrzewska, Krystyna ; Beveridge, David...
Nucleic Acids Research. 38 (2009) 1 - p. 299-313 , 2009

Link: https://doi.org/10.1093/..

6

The mechanism of covalent inhibition of LAR phosphatase by ..:

Hansen, Daniel T. ; Rueb, Nicole J. ; Levinzon, Nathan D....
Bioorganic & Medicinal Chemistry Letters. 104 (2024) - p. 129740 , 2024

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

7

Special issue: Multiscale simulations of DNA from electrons..:

Maddocks, John H. ; Dans, Pablo D. ; Cheatham III, Thomas H....
Biophysical Reviews. , 2024

Link: https://doi.org/10.1007/..

8

Molecular Modeling of Single- and Double-Hydrocarbon-Staple..:

Lima, Maria Carolina P. ; Hornsby, Braxten D. ; Lim, Carol S..
The Journal of Physical Chemistry B. 128 (2024) 27 - p. 6476-6491 , 2024

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

9

Benchmarking the Drude Polarizable Force Field Using the r(..:

Winkler, Lauren ; Cheatham III, Thomas E.
Journal of Chemical Information and Modeling. 63 (2023) 8 - p. 2505-2511 , 2023

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

10

An open call for contributions to a special issue of Biophy..:

Olson, Wilma K. ; Maddocks, John H. ; Dans, Pablo D....
Biophysical Reviews. 15 (2023) 6 - p. 1901-1902 , 2023

Link: https://doi.org/10.1007/..

11

Structures and Dynamics of DNA Mini-Dumbbells Are Force Fie..:

Winkler, Lauren ; Galindo-Murillo, Rodrigo ; Cheatham III, Thomas E.
Journal of Chemical Theory and Computation. 19 (2023) 8 - p. 2198-2212 , 2023

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

12

Assessment of A- to B- DNA Transitions Utilizing the Drude ..:

Winkler, Lauren ; Galindo-Murillo, Rodrigo ; Cheatham III, Thomas E.
Journal of Chemical Theory and Computation. 19 (2023) 23 - p. 8955-8966 , 2023

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

13

Systematic Investigation of Tether Length and Phosphorus Co..:

Rajasekaran, Tamilselvan ; Freestone, Graeme C. ; Galindo-Murillo, Rodrigo...
The Journal of Organic Chemistry. 88 (2023) 6 - p. 3599-3614 , 2023

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

14

Assessing the Current State of Amber Force Field Modificati..:

Love, Olivia ; Galindo-Murillo, Rodrigo ; Zgarbová, Marie...
Journal of Chemical Theory and Computation. 19 (2023) 13 - p. 4299-4307 , 2023

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

15

van der Waals Parameter Scanning with Amber Nucleic Acid Fo..:

Love, Olivia ; Winkler, Lauren ; Cheatham III, Thomas E.
Journal of Chemical Theory and Computation. 20 (2023) 2 - p. 625-643 , 2023

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