Teresa Head-Gordon - researchr alias

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Viewing Publication 1 - 19 from 19

2023

2021

Convergence of stochastic-extended Lagrangian molecular dynamics method for polarizable force field simulationDong An, Sara Y. Cheng, Teresa Head-Gordon, Lin Lin 0001, Jianfeng Lu 0001. jcphy, 438:110338, 2021. [doi]

Protein C-GeM: A Coarse-Grained Electron Model for Fast and Accurate Protein Electrostatics PredictionXingyi Guan, Itai Leven, Farnaz Heidar-Zadeh, Teresa Head-Gordon. jcisd, 61(9):4357-4369, 2021. [doi]

2017

PB-AM: An open-source, fully analytical linear poisson-boltzmann solverLisa E. Felberg, David H. Brookes, Eng-Hui Yap, Elizabeth Jurrus, Nathan A. Baker, Teresa Head-Gordon. jcc, 38(15):1275-1282, 2017. [doi]

2011

Reliable protein structure refinement using a physical energy functionMatthew S. Lin, Teresa Head-Gordon. jcc, 32(4):709-717, 2011. [doi]

The Dynamical Mechanism of Auto-Inhibition of AMP-Activated Protein KinaseCheng Peng, Teresa Head-Gordon. ploscb, 7(7), 2011. [doi]

2010

Evidence of Functional Protein Dynamics from X-Ray Crystallographic EnsemblesJonathan E. Kohn, Pavel V. Afonine, Jory Z. Ruscio, Paul D. Adams, Teresa Head-Gordon. ploscb, 6(8), 2010. [doi]

How hot? Systematic convergence of the replica exchange method using multiple reservoirsJory Z. Ruscio, Nicolas L. Fawzi, Teresa Head-Gordon. jcc, 31(3):620-627, 2010. [doi]

2004

A new load-balancing strategy for the solution of dynamical large-tree-search problems using a hierarchical approachSilvia N. Crivelli, Teresa Head-Gordon. ibmrd, 48(2):153-160, 2004. [doi]

An optimization approach to the problem of protein structure predictionElizabeth Eskow, Brett W. Bader, Richard H. Byrd, Silvia N. Crivelli, Teresa Head-Gordon, Vincent Lamberti, Robert B. Schnabel. mp, 101(3):497-514, 2004. [doi]

2003

Cool walking: A new Markov chain Monte Carlo sampling methodScott Brown, Teresa Head-Gordon. jcc, 24(1):68-76, 2003. [doi]

2002

Protein Engineering Study of Protein L by SimulationJon M. Sorenson, Teresa Head-Gordon. jcb, 9(1):35-54, 2002.

2001

Computational challenges in structural and functional genomicsTeresa Head-Gordon, John C. Wooley. IBMSJ, 40(2):265-296, 2001. [doi]

2000

A Global Optimization Strategy for Predicting -helical Protein Tertiary StructureSilvia N. Crivelli, Richard H. Byrd, Elizabeth Eskow, Robert B. Schnabel, Richard Yu, Thomas M. Philip, Teresa Head-Gordon. CANDC, 24(3-4):489-497, 2000. [doi]

Matching Simulation and Experiment: A New Simplified Model for Simulating Protein FoldingJon M. Sorenson, Teresa Head-Gordon. jcb, 7(3-4):469-481, 2000.

Matching simulation and experiment (extended abstract): a new simplified model for simulating protein foldingJon M. Sorenson, Teresa Head-Gordon. recomb 2000: 273-282 [doi]

1999

A Hierarchical Approach for Parallelization of a Global Optimization Method for Protein Structure PredictionSilvia N. Crivelli, Teresa Head-Gordon, Richard H. Byrd, Elizabeth Eskow, Robert B. Schnabel. europar 1999: 578-585 [doi]

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