Artículos con órdenes de acceso público - Lillian T. ChongMás información
Disponibles en algún lugar: 37
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
Órdenes: US National Science Foundation, US National Institutes of Health
A glycan gate controls opening of the SARS-CoV-2 spike protein
T Sztain, SH Ahn, AT Bogetti, L Casalino, JA Goldsmith, E Seitz, ...
Nature chemistry 13 (10), 963-968, 2021
Órdenes: US National Science Foundation, US Department of Energy, US National …
Weighted ensemble simulation: review of methodology, applications, and software
DM Zuckerman, LT Chong
Annual review of biophysics 46 (1), 43-57, 2017
Órdenes: US National Science Foundation, US National Institutes of Health
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
Órdenes: US National Science Foundation, US National Institutes of Health
AI-driven multiscale simulations illuminate mechanisms of SARS-CoV-2 spike dynamics
L Casalino, AC Dommer, Z Gaieb, EP Barros, T Sztain, SH Ahn, A Trifan, ...
The International Journal of High Performance Computing Applications 35 (5 …, 2021
Órdenes: US National Science Foundation, US Department of Energy, US National …
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
Órdenes: US National Institutes of Health
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
Órdenes: US National Institutes of Health
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
Órdenes: US National Science Foundation, US National Institutes of Health
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
Órdenes: US National Science Foundation, US National Institutes of Health
Simultaneous computation of dynamical and equilibrium information using a weighted ensemble of trajectories
E Suárez, S Lettieri, MC Zwier, SR Subramanian, LT Chong, ...
Biophysical Journal 106 (2), 406a, 2014
Órdenes: US National Institutes of Health
# COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol
A Dommer, L Casalino, F Kearns, M Rosenfeld, N Wauer, SH Ahn, ...
The international journal of high performance computing applications 37 (1 …, 2023
Órdenes: US National Science Foundation, US Department of Energy, US National …
Protein–protein binding pathways and calculations of rate constants using fully-continuous, explicit-solvent simulations
AS Saglam, LT Chong
Chemical science 10 (8), 2360-2372, 2019
Órdenes: US National Science Foundation, US National Institutes of Health
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
Órdenes: US National Institutes of Health
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
Órdenes: US National Institutes of Health
WESTPA 2.0: High-performance upgrades for weighted ensemble simulations and analysis of longer-timescale applications
JD Russo, S Zhang, JMG Leung, AT Bogetti, JP Thompson, AJ DeGrave, ...
Journal of Chemical Theory and Computation 18 (2), 638-649, 2022
Órdenes: US National Science Foundation, US National Institutes of Health
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
Órdenes: US National Institutes of Health
Large expert-curated database for benchmarking document similarity detection in biomedical literature search
P Brown, Y Zhou
Database 2019, baz085, 2019
Órdenes: Cancer Research UK, UK Medical Research Council
Highly Efficient Computation of the Basal kon using Direct Simulation of Protein–Protein Association with Flexible Molecular Models
AS Saglam, LT Chong
The Journal of Physical Chemistry B 120 (1), 117-122, 2016
Órdenes: US National Science Foundation, US National Institutes of Health
Large enhancement of response times of a protein conformational switch by computational design
AJ DeGrave, JH Ha, SN Loh, LT Chong
Nature communications 9 (1), 1013, 2018
Órdenes: US National Science Foundation, US National Institutes of Health
Estimating first‐passage time distributions from weighted ensemble simulations and non‐M arkovian analyses
E Suárez, AJ Pratt, LT Chong, DM Zuckerman
Protein Science 25 (1), 67-78, 2016
Órdenes: US National Science Foundation, US National Institutes of Health
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