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Ruxi Qi
Ruxi Qi
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Amber 2023
DA Case, HM Aktulga, K Belfon, IY Ben-Shalom, JT Berryman, SR Brozell, ...
University of California, San Francisco, 2023
58992023
AmberTools
DA Case, HM Aktulga, K Belfon, DS Cerutti, GA Cisneros, VWD Cruzeiro, ...
Journal of chemical information and modeling 63 (20), 6183-6191, 2023
6142023
Recent developments and applications of the MMPBSA method
C Wang, DA Greene, L Xiao, R Qi, R Luo
Frontiers in molecular biosciences 4, 87, 2018
5472018
AMBER 20
DA Case, K Belfon, IY Ben-Shalom, SR Brozell, DS Cerutti, ...
University of California: San Francisco, CA, USA, 2020
3712020
AMBER 22 reference manual
DA Case, RE Duke, RC Walker, NR Skrynnikov, TE Cheatham III, ...
University of California, San Francisco, United States-California, 2022
1362022
AMBER 2018; 2018
DA Case, IY Ben-Shalom, SR Brozell, DS Cerutti, TE Cheatham Iii, ...
University of California, San Francisco, 2018
1252018
Replica exchange molecular dynamics: a practical application protocol with solutions to common problems and a peptide aggregation and self-assembly example
R Qi, G Wei, B Ma, R Nussinov
Peptide self-assembly: Methods and protocols, 101-119, 2018
1122018
Expanding the nanoarchitectural diversity through aromatic di-and tri-peptide coassembly: Nanostructures and molecular mechanisms
C Guo, ZA Arnon, R Qi, Q Zhang, L Adler-Abramovich, E Gazit, G Wei
ACS nano 10 (9), 8316-8324, 2016
1002016
Conformational distribution and α-helix to β-sheet transition of human amylin fragment dimer
R Qi, Y Luo, B Ma, R Nussinov, G Wei
Biomacromolecules 15 (1), 122-131, 2014
932014
Regulation of the Hippo pathway by phosphatidic acid-mediated lipid-protein interaction
H Han, R Qi, JJ Zhou, AP Ta, B Yang, HJ Nakaoka, G Seo, KL Guan, ...
Molecular Cell 72 (2), 328-340. e8, 2018
872018
Aβ “stretching-and-packing” cross-seeding mechanism can trigger tau protein aggregation
R Qi, Y Luo, G Wei, R Nussinov, B Ma
The Journal of Physical Chemistry Letters 6 (16), 3276-3282, 2015
552015
AMBER 2018
TA Darden, RE Duke, D Ghoreishi, MK Gilson, H Gohlke, AW Goetz, ...
University of California, San Francisco, 2018
512018
The Hippo pathway kinases LATS1 and LATS2 attenuate cellular responses to heavy metals through phosphorylating MTF1
H Han, HJ Nakaoka, L Hofmann, JJ Zhou, C Yu, L Zeng, J Nan, G Seo, ...
Nature cell biology 24 (1), 74-87, 2022
412022
Amber 2020. 2020
DA Case, K Belfon, IY Ben-Shalom, SR Brozell, DS Cerutti, TEI Cheatham, ...
There is no corresponding record for this reference, 2019
412019
Heterogeneous dielectric implicit membrane model for the calculation of MMPBSA binding free energies
DA Greene, R Qi, R Nguyen, T Qiu, R Luo
Journal of chemical information and modeling 59 (6), 3041-3056, 2019
352019
Conformational stability and dynamics of the cancer-associated isoform Δ133p53β are modulated by p53 peptides and p53-specific DNA
J Lei, R Qi, Y Tang, W Wang, G Wei, R Nussinov, B Ma
The FASEB Journal 33 (3), 4225, 2019
352019
Interaction Dynamics in inhibiting the aggregation of Aβ peptides by SWCNTs: a combined experimental and coarse-grained molecular dynamic simulation study
D Lin, R Qi, S Li, R He, P Li, G Wei, X Yang
ACS Chemical Neuroscience 7 (9), 1232-1240, 2016
292016
Self-aggregation and coaggregation of the p53 core fragment with its aggregation gatekeeper variant
J Lei, R Qi, G Wei, R Nussinov, B Ma
Physical Chemistry Chemical Physics 18 (11), 8098-8107, 2016
292016
AMBER16 and AmberTools17
DA Case, DS Cerutti, TE Cheatham, TA Darden, RE Duke, TJ Giese, ...
University of California, San Francisco, 2017
282017
Kollman
DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ...
PA, AMBER 8, 2023
252023
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Artikler 1–20