A glycan gate controls opening of the SARS-CoV-2 spike protein
Sztain, Terra, Ahn, Surl-Hee, Bogetti, Anthony T., Casalino, Lorenzo, Goldsmith, Jory A., Seitz, Evan, McCool, Ryan S., Kearns, Fiona L., Acosta-Reyes, Francisco, Maji, Suvrajit, Mashayekhi, Ghoncheh, McCammon, J. Andrew, Ourmazd, Abbas, Frank, Joachim, McLellan, Jason S., Chong, Lillian T., Amaro, Rommie E.
Published in Nature chemistry (01.10.2021)
Published in Nature chemistry (01.10.2021)
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Journal Article
Evaluating the Strength of Salt Bridges: A Comparison of Current Biomolecular Force Fields
Debiec, Karl T, Gronenborn, Angela M, Chong, Lillian T
Published in The journal of physical chemistry. B (19.06.2014)
Published in The journal of physical chemistry. B (19.06.2014)
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Journal Article
Further along the Road Less Traveled: AMBER ff15ipq, an Original Protein Force Field Built on a Self-Consistent Physical Model
Debiec, Karl T, Cerutti, David S, Baker, Lewis R, Gronenborn, Angela M, Case, David A, Chong, Lillian T
Published in Journal of chemical theory and computation (09.08.2016)
Published in Journal of chemical theory and computation (09.08.2016)
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Journal Article
Efficient Atomistic Simulation of Pathways and Calculation of Rate Constants for a Protein–Peptide Binding Process: Application to the MDM2 Protein and an Intrinsically Disordered p53 Peptide
Zwier, Matthew C, Pratt, Adam J, Adelman, Joshua L, Kaus, Joseph W, Zuckerman, Daniel M, Chong, Lillian T
Published in The journal of physical chemistry letters (01.09.2016)
Published in The journal of physical chemistry letters (01.09.2016)
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Journal Article
WESTPA: An Interoperable, Highly Scalable Software Package for Weighted Ensemble Simulation and Analysis
Zwier, Matthew C, Adelman, Joshua L, Kaus, Joseph W, Pratt, Adam J, Wong, Kim F, Rego, Nicholas B, Suárez, Ernesto, Lettieri, Steven, Wang, David W, Grabe, Michael, Zuckerman, Daniel M, Chong, Lillian T
Published in Journal of chemical theory and computation (10.02.2015)
Published in Journal of chemical theory and computation (10.02.2015)
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Journal Article
Large enhancement of response times of a protein conformational switch by computational design
DeGrave, Alex J., Ha, Jeung-Hoi, Loh, Stewart N., Chong, Lillian T.
Published in Nature communications (09.03.2018)
Published in Nature communications (09.03.2018)
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Journal Article
Simultaneous Computation of Dynamical and Equilibrium Information Using a Weighted Ensemble of Trajectories
Suárez, Ernesto, Lettieri, Steven, Zwier, Matthew C, Stringer, Carsen A, Subramanian, Sundar Raman, Chong, Lillian T, Zuckerman, Daniel M
Published in Journal of chemical theory and computation (08.07.2014)
Published in Journal of chemical theory and computation (08.07.2014)
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Journal Article
Simulations of the Alternating Access Mechanism of the Sodium Symporter Mhp1
Adelman, Joshua L., Dale, Amy L., Zwier, Matthew C., Bhatt, Divesh, Chong, Lillian T., Zuckerman, Daniel M., Grabe, Michael
Published in Biophysical journal (16.11.2011)
Published in Biophysical journal (16.11.2011)
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Journal Article
Efficient Explicit-Solvent Molecular Dynamics Simulations of Molecular Association Kinetics: Methane/Methane, Na+/Cl−, Methane/Benzene, and K+/18-Crown-6 Ether
Zwier, Matthew C, Kaus, Joseph W, Chong, Lillian T
Published in Journal of chemical theory and computation (12.04.2011)
Published in Journal of chemical theory and computation (12.04.2011)
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Journal Article
WEDAP: A Python Package for Streamlined Plotting of Molecular Simulation Data
Yang, Darian T., Chong, Lillian T.
Published in Journal of chemical information and modeling (12.08.2024)
Published in Journal of chemical information and modeling (12.08.2024)
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Journal Article
Path-sampling strategies for simulating rare events in biomolecular systems
Chong, Lillian T, Saglam, Ali S, Zuckerman, Daniel M
Published in Current opinion in structural biology (01.04.2017)
Published in Current opinion in structural biology (01.04.2017)
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