E-LIB Suche - Ergebnisse für: MacKerell, Alexander

1

Computational mapping of allosteric modulators of the BK ch..:

Nordquist, Erik B. ; Zhao, Mingtian ; Yu, Wenbo..
Biophysical Journal. 123 (2024) 3 - p. 253a , 2024

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

2

Balancing monoatomic ion-biomolecular interactions in the p..:

Nan, Yiling ; MacKerell, Alexander D.
Biophysical Journal. 123 (2024) 3 - p. 474a , 2024

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

3

NMR and MD simulation study using the additive and Drude po..:

Croitoru, Anastasia ; Dorst, Kevin M. ; Widmalm, Göran.
Biophysical Journal. 123 (2024) 3 - p. 514a , 2024

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

4

Exploring temperature-dependent conformational changes in P..:

Baral, Prabin ; Deredge, Daniel J. ; Shapiro, Paul..
Biophysical Journal. 123 (2024) 3 - p. 138a , 2024

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

5

Mechanistic insights into ligand dissociation from the SARS..:

Hasse, Timothy ; Mantei, Esra ; Shahoei, Rezvan...
PLOS Computational Biology. 20 (2024) 3 - p. e1011955 , 2024

Link: https://doi.org/10.1371/..

6

Computational design of Periplasmic binding protein biosens..:

O'Shea, Jack M. ; Doerner, Peter ; Richardson, Annis..
PLOS Computational Biology. 20 (2024) 6 - p. e1012212 , 2024

Link: https://doi.org/10.1371/..

7

Transferable deep generative modeling of intrinsically diso..:

Janson, Giacomo ; Feig, Michael ; MacKerell, Alexander
PLOS Computational Biology. 20 (2024) 5 - p. e1012144 , 2024

Link: https://doi.org/10.1371/..

8

Enhancing SILCS-MC via GPU acceleration and structural refi..:

Zhao, Mingtian ; Yu, Wenbo ; Kognole, Abhishek A...
Biophysical Journal. 123 (2024) 3 - p. 473a , 2024

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

9

Computational study of ligand dissociation pathways and fre..:

Yu, Wenbo ; Kumar, Shashi ; Zhao, Mingtian.
Biophysical Journal. 123 (2024) 3 - p. 471a , 2024

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

10

Tracking conformational transitions of the gonadotropin hor..:

Jardón-Valadez, Eduardo ; Ulloa-Aguirre, Alfredo ; MacKerell, Alexander
PLOS Computational Biology. 20 (2024) 1 - p. e1011415 , 2024

Link: https://doi.org/10.1371/..

11

Systematic evaluation of lecithin:cholesterol acyltransfera..:

Niemelä, Akseli ; Koivuniemi, Artturi ; MacKerell, Alexander
PLOS Computational Biology. 20 (2024) 5 - p. e1012137 , 2024

Link: https://doi.org/10.1371/..

12

Molecular simulations of state-specific interactions with c..:

Rouen, Kyle C. ; Ngo, Khoa ; González, Adriana Hernández...
Biophysical Journal. 123 (2024) 3 - p. 533a-534a , 2024

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

13

Pathfinder: Protein folding pathway prediction based on con..:

Huang, Zhaohong ; Cui, Xinyue ; Xia, Yuhao...
PLOS Computational Biology. 19 (2023) 9 - p. e1011438 , 2023

Link: https://doi.org/10.1371/..

14

TFOFinder: Python program for identifying purine-only doubl..:

Neugroschl, Atara ; Catrina, Irina E. ; MacKerell, Alexander
PLOS Computational Biology. 19 (2023) 8 - p. e1011418 , 2023

Link: https://doi.org/10.1371/..

15

Glycosidic α-linked mannopyranose disaccharides: an NMR spe..:

Ruda, Alessandro ; Aytenfisu, Asaminew H. ; Angles d'Ortoli, Thibault..
Physical Chemistry Chemical Physics. 25 (2023) 4 - p. 3042-3060 , 2023

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