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L

Lillian T. Chong

university of pittsburgh

31H指数
114论文数
8.9K被引数
收录论文 39
发表时间
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Large-scale protein conformational transitions revealed by weighted ensemble simulations and EPR加权集合模拟和EPR揭示的大规模蛋白质构象转换
errchem. sci.
IF0
err2026-03-27
err0
errOAAI
errShramana Palit; Darian Yang; Xiaowei Bogetti; Anthony Bogetti; Olivia Wood; Sunil Saxena; Lillian Chong
err分享
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The Open Molecular Software Foundation (OMSF) and the Growing Role of Open Source Software in Molecular Modeling开放分子软件基金会（OMSF）及开源软件在分子建模中日益增长的作用
errJournal of Chemical Information and Modeling
IF5.3
err2026-03-10
err0
PREAI
errKarmen Čondić-Jurkić; Irfan Alibay; Woody Sherman; Mallory R. Tollefson; W. Patrick Walters; Zachary Baker; Lillian T. Chong; Jennifer N. Wei; Jeffrey Gray; Brian D. Weitzner; Daniel G. A. Smith; Julia Koehler Leman; Chris Bahl; David L. Mobley
err分享
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Weighted Ensemble Simulation: Advances in Methods, Software, and Applications加权集合模拟：方法、软件与应用的进展
errWIREs Computational Molecular Science
IF0
err2025-11-14
err0
PREAI
errLillian T. Chong; Daniel M. Zuckerman
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SHINE: Deterministic Many-to-Many Clustering of Molecular PathwaysSHINE：分子通路确定性多对多聚类
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2025-05-06
err0
PREAI
errChen, Lexin; Leung, Jeremy M. G.; Zsigmond, Krisztina; Chong, Lillian T.
err分享
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Illuminating an invisible state of the HIV-1 capsid protein CTD dimer using 19F NMR and weighted ensemble simulations利用¹⁹F NMR和加权集合模拟揭示HIV-1衣壳蛋白CTD二聚体的不可见状态
errPROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
IF9.1
err2025-02-18
err0
errOAAI
errYang, Darian T.; Chong, Lillian T.
err分享
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Identification of small-molecule ligand-binding sites on and in the ARNT PAS-B domain
errJOURNAL OF BIOLOGICAL CHEMISTRY
IF3.9
err2024-09-01
err0
errOAAI
errXu, Xingjian; Closson, Joseph D.; Marcelino, Leandro Pimentel; Favaro, Denize C.; Silvestrini, Marion L.; Solazzo, Riccardo; Chong, Lillian T.; Gardner, Kevin H.
err分享
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WEDAP: A Python Package for Streamlined Plotting of Molecular Simulation Data
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-07-16
err1
errOAAI
errYang, Darian T.; Chong, Lillian T.
err分享
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Revisiting Textbook Azide-Clock Reactions: A Propeller-Crawling Mechanism Explains Differences in Rates
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2024-04-30
err1
errOAAI
errBogetti, Anthony T.; Zwier, Matthew C.; Chong, Lillian T.
err分享
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Effects of altered backbone composition on the folding kinetics and mechanism of an ultrafast-folding protein
errCHEMICAL SCIENCE
IF7.4
err2024-01-01
err2
errOAAI
errSanthouse, Jacqueline R.; Leung, Jeremy M. G.; Chong, Lillian T.; Horne, W. Seth
err分享
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LPATH: A Semiautomated Python Tool for Clustering Molecular Pathways
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-12-04
err6
errOAAI
errBogetti, Anthony T.; Leung, Jeremy M. G.; Chong, Lillian T.
err分享
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#COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol
errINTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS
IF2.5
err2022-10-02
err36
errOAAI
errDommer, Abigail; Casalino, Lorenzo; Kearns, Fiona; Rosenfeld, Mia; Wauer, Nicholas; Ahn, Surl-Hee; Russo, John; Oliveira, Sofia; Morris, Clare; Bogetti, Anthony; Trifan, Anda; Brace, Alexander; Sztain, Terra; Clyde, Austin; Ma, Heng; Chennubhotla, Chakra; Lee, Hyungro; Turilli, Matteo; Khalid, Syma; Tamayo-Mendoza, Teresa; Welborn, Matthew; Christensen, Anders; Smith, Daniel Ga; Qiao, Zhuoran; Sirumalla, Sai K.; O'Connor, Michael; Manby, Frederick; Anandkumar, Anima; Hardy, David; Phillips, James; Stern, Abraham; Romero, Josh; Clark, David; Dorrell, Mitchell; Maiden, Tom; Huang, Lei; McCalpin, John; Woods, Christopher; Gray, Alan; Williams, Matt; Barker, Bryan; Rajapaksha, Harinda; Pitts, Richard; Gibbs, Tom; Stone, John; Zuckerman, Daniel M.; Mulholland, Adrian J.; Miller, Thomas, III; Jha, Shantenu; Ramanathan, Arvind; Chong, Lillian; Amaro, Rommie E.
err分享
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Mechanistic Insights into Passive Membrane Permeability of Drug-like Molecules from a Weighted Ensemble of Trajectories
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2022-04-14
err17
errOAAI
errZhang, She; Thompson, Jeff P.; Xia, Junchao; Bogetti, Anthony T.; York, Forrest; Skillman, A. Geoffrey; Chong, Lillian T.; LeBard, David N.
err分享
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WESTPA 2.0: High-Performance Upgrades for Weighted Ensemble Simulations and Analysis of Longer-Timescale Applications
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-01-19
err41
errOAAI
errRusso, John D.; Zhang, She; Leung, Jeremy M. G.; Bogetti, Anthony T.; Thompson, Jeff P.; DeGrave, Alex J.; Torrillo, Paul A.; Pratt, A. J.; Wong, Kim F.; Xia, Junchao; Copperman, Jeremy; Adelman, Joshua L.; Zwier, Matthew C.; LeBard, David N.; Zuckerman, Daniel M.; Chong, Lillian T.
err分享
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Implications of the unfolded state in the folding energetics of heterogeneous-backbone protein mimetics
errCHEMICAL SCIENCE
IF7.4
err2022-01-01
err4
errOAAI
errSanthouse, Jacqueline R.; Leung, Jeremy M. G.; Chong, Lillian T.; Horne, W. Seth
err分享
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The RED scheme: Rate-constant estimation from pre-steady state weighted ensemble simulations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-03-17
err13
errOAAI
errDeGrave, Alex J.; Bogetti, Anthony T.; Chong, Lillian T.
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A twist in the road less traveled: The AMBER ff15ipq-m force field for protein mimetics
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-08-10
err17
errOAAI
errBogetti, Anthony T.; Piston, Hannah E.; Leung, Jeremy M. G.; Cabalteja, Chino C.; Yang, Darian T.; DeGrave, Alex J.; Debiec, Karl T.; Cerutti, David S.; Case, David A.; Horne, W. Seth; Chong, Lillian T.
err分享
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Protein-protein binding pathways and calculations of rate constants using fully-continuous, explicit-solvent simulations
errCHEMICAL SCIENCE
IF7.4
err2019-01-01
err63
errOAAI
errSaglam, Ali S.; Chong, Lillian T.
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Large enhancement of response times of a protein conformational switch by computational design
errNATURE COMMUNICATIONS
IF15.7
err2018-03-09
err29
errOAAI
errDeGrave, Alex J.; Ha, Jeung-Hoi; Loh, Stewart N.; Chong, Lillian T.
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Integrating NMR, SAXS, and Atomistic Simulations: Structure and Dynamics of a Two-Domain Protein
errBIOPHYSICAL JOURNAL
IF3.1
err2018-02-01
err17
errOAAI
errDebiec, Karl T.; Whitley, Matthew J.; Koharudin, Leonardus M. I.; Chong, Lillian T.; Gronenborn, Angela M.
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WESTPA 2.0 Advances in Sampling, Storage, and Analysis of Weighted Ensemble Simulations
errBIOPHYSICAL JOURNAL
IF3.1
err2018-02-01
err1
errOAAI
errPratt, Adam; Zuckerman, Daniel M.; Chong, Lillian T.
err分享
err收藏

研究方向

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合作学者
合作期刊
A
Angela M. Gronenborn
H 指数: 119 · 论文数: 798
P
Peter A. Kollman
H 指数: 116 · 论文数: 705
D
David A. Case
H 指数: 107 · 论文数: 518
I
Irwin D. Kuntz
H 指数: 82 · 论文数: 310
J
J. C. Phillips
H 指数: 73 · 论文数: 330
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