Lillian T. Chong
Lillian T. Chong
Associate Professor of Chemistry, University of Pittsburgh
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Calculating structures and free energies of complex molecules: combining molecular mechanics and continuum models
PA Kollman, I Massova, C Reyes, B Kuhn, S Huo, L Chong, M Lee, T Lee, ...
Accounts of chemical research 33 (12), 889-897, 2000
Molecular dynamics and free-energy calculations applied to affinity maturation in antibody 48G7
LT Chong, Y Duan, L Wang, I Massova, PA Kollman
Proceedings of the National Academy of Sciences 96 (25), 14330-14335, 1999
Selective, tight-binding inhibitors of integrin α4β1 that inhibit allergic airway responses
K Lin, HS Ateeq, SH Hsiung, LT Chong, CN Zimmerman, A Castro, W Lee, ...
Journal of medicinal chemistry 42 (5), 920-934, 1999
A suite of tutorials for the WESTPA rare-events sampling software [Article v1. 0]
AT Bogetti, B Mostofian, A Dickson, AJ Pratt, AS Saglam, PO Harrison, ...
Living journal of computational molecular science 1 (2), 2019
Reaching biological timescales with all-atom molecular dynamics simulations
MC Zwier, LT Chong
Current opinion in pharmacology 10 (6), 745-752, 2010
Further along the road less traveled: AMBER ff15ipq, an original protein force field built on a self-consistent physical model
KT Debiec, DS Cerutti, LR Baker, AM Gronenborn, DA Case, LT Chong
Journal of chemical theory and computation 12 (8), 3926-3947, 2016
Weighted ensemble simulation: review of methodology, applications, and software
DM Zuckerman, LT Chong
Annual review of biophysics 46, 43-57, 2017
WESTPA: An interoperable, highly scalable software package for weighted ensemble simulation and analysis
MC Zwier, JL Adelman, JW Kaus, AJ Pratt, KF Wong, NB Rego, E Suárez, ...
Journal of chemical theory and computation 11 (2), 800-809, 2015
Computation of electrostatic complements to proteins: A case of charge stabilized binding
LT Chong, SE Dempster, ZS Hendsch, LP Lee, B Tidor
Protein science 7 (1), 206-210, 1998
Evaluating the strength of salt bridges: a comparison of current biomolecular force fields
KT Debiec, AM Gronenborn, LT Chong
The Journal of Physical Chemistry B 118 (24), 6561-6569, 2014
Simultaneous computation of dynamical and equilibrium information using a weighted ensemble of trajectories
E Suarez, S Lettieri, MC Zwier, CA Stringer, SR Subramanian, LT Chong, ...
Journal of chemical theory and computation 10 (7), 2658-2667, 2014
Efficient atomistic simulation of pathways and calculation of rate constants for a protein–peptide binding process: Application to the MDM2 protein and an intrinsically …
MC Zwier, AJ Pratt, JL Adelman, JW Kaus, DM Zuckerman, LT Chong
The journal of physical chemistry letters 7 (17), 3440-3445, 2016
Simulations of the alternating access mechanism of the sodium symporter Mhp1
JL Adelman, AL Dale, MC Zwier, D Bhatt, LT Chong, DM Zuckerman, ...
Biophysical journal 101 (10), 2399-2407, 2011
Dimerization of the p53 oligomerization domain: identification of a folding nucleus by molecular dynamics simulations
LT Chong, CD Snow, YM Rhee, VS Pande
Journal of molecular biology 345 (4), 869-878, 2005
Path-sampling strategies for simulating rare events in biomolecular systems
LT Chong, AS Saglam, DM Zuckerman
Current opinion in structural biology 43, 88-94, 2017
An alternative explanation for the catalytic proficiency of orotidine 5 ‘-phosphate decarboxylase
TS Lee, LT Chong, JD Chodera, PA Kollman
Journal of the American Chemical Society 123 (51), 12837-12848, 2001
Efficient Explicit-Solvent Molecular Dynamics Simulations of Molecular Association Kinetics: Methane/Methane, Na+/Cl, Methane/Benzene, and K+/18-Crown-6 …
MC Zwier, JW Kaus, LT Chong
Journal of Chemical Theory and Computation 7 (4), 1189-1197, 2011
Effect of interdomain linker length on an antagonistic folding–unfolding equilibrium between two protein domains
TA Cutler, BM Mills, DJ Lubin, LT Chong, SN Loh
Journal of molecular biology 386 (3), 854-868, 2009
The native GCN4 leucine-zipper domain does not uniquely specify a dimeric oligomerization state
KM Oshaben, R Salari, DR McCaslin, LT Chong, WS Horne
Biochemistry 51 (47), 9581-9591, 2012
Kinetic computational alanine scanning: application to p53 oligomerization
LT Chong, WC Swope, JW Pitera, VS Pande
Journal of molecular biology 357 (3), 1039-1049, 2006
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