Yui Tik Pang (Andrew)
Yui Tik Pang (Andrew)
Other namesYui Tik Pang
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Gaussian accelerated molecular dynamics in NAMD
YT Pang, Y Miao, Y Wang, JA McCammon
Journal of chemical theory and computation 13 (1), 9-19, 2017
Inhibitor binding influences the protonation states of histidines in SARS-CoV-2 main protease
A Pavlova, DL Lynch, I Daidone, L Zanetti-Polzi, MD Smith, C Chipot, ...
Chemical science 12 (4), 1513-1527, 2021
Machine learning reveals the critical interactions for SARS-CoV-2 spike protein binding to ACE2
A Pavlova, Z Zhang, A Acharya, DL Lynch, YT Pang, Z Mou, JM Parks, ...
The journal of physical chemistry letters 12 (23), 5494-5502, 2021
SARS-CoV-2 spike opening dynamics and energetics reveal the individual roles of glycans and their collective impact
YT Pang, A Acharya, DL Lynch, A Pavlova, JC Gumbart
Communications Biology 5 (1), 1170, 2022
Plasticity within the barrel domain of BamA mediates a hybrid-barrel mechanism by BAM
R Wu, JW Bakelar, K Lundquist, Z Zhang, KM Kuo, D Ryoo, YT Pang, ...
Nature Communications 12 (1), 7131, 2021
ACE2 glycans preferentially interact with SARS-CoV-2 over SARS-CoV
A Acharya, DL Lynch, A Pavlova, YT Pang, JC Gumbart
Chemical Communications 57 (48), 5949-5952, 2021
BamA is required for autotransporter secretion
D Ryoo, MO Rydmark, YT Pang, KP Lundquist, D Linke, JC Gumbart
Biochimica et Biophysica Acta (BBA)-General Subjects 1864 (7), 129581, 2020
Pore formation induced by nanoparticles binding to a lipid membrane
YT Pang, Z Ge, B Zhang, P Xiu, Q Li, Y Wang
Nanoscale 12 (14), 7902-7913, 2020
Parameterization of a drug molecule with a halogen σ-hole particle using ffTK: Implementation, testing, and comparison
YT Pang, A Pavlova, E Tajkhorshid, JC Gumbart
The Journal of Chemical Physics 153 (16), 2020
Combinatorial phosphorylation modulates the structure and function of the G protein γ subunit in yeast
Z Nassiri Toosi, X Su, R Austin, S Choudhury, W Li, YT Pang, JC Gumbart, ...
Science signaling 14 (688), eabd2464, 2021
Uncovering the folding mechanism of pertactin: A comparative study of isolated and vectorial folding
YT Pang, AJ Hazel, JC Gumbart
Biophysical Journal 122 (14), 2988-2995, 2023
The role of intramolecular nonbonded interaction and angle sampling in single-step free energy perturbation
YC Chiang, YT Pang, Y Wang
The Journal of Chemical Physics 145 (23), 2016
Generative β-hairpin design using a residue-based physicochemical property landscape
V Satalkar, GD Degaga, W Li, YT Pang, AC McShan, JC Gumbart, ...
Biophysical Journal, 2024
From simple to complex: Reconstructing all-atom structures from coarse-grained models using cg2all
YT Pang, L Yang, JC Gumbart
Structure 32 (1), 5-7, 2024
N-terminal intrinsic disorder is an ancestral feature of Gγ subunits that influences the balance between different Gβγ signaling axes in yeast
X Su, YT Pang, W Li, JC Gumbart, J Kelley, M Torres
Journal of Biological Chemistry 299 (8), 2023
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