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J

James C. Gumbart

georgia institute of technology

52H指数
320论文数
2.7W被引数
收录论文 144
发表时间
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Convergence is not correctness: context-dependent performance of enhanced-sampling methods across biological complexity收敛不等于正确性：增强采样方法在生物复杂性中的上下文依赖性能
errNature Communications
IF15.7
err2026-06-12
err0
errOAAI
errChristopher Kang; Cheng Giuseppe Chen; Chenyu Tang; Sergio Contreras Arredondo; Mengchen Zhou; Haohao Fu; Lan Yang; James C. Gumbart; Ashkan Fakharzadeh; Mahmoud Moradi; Haochuan Chen; Rui Sun; Jonathan Harris; Benoît Roux; Christophe Chipot
err分享
err收藏
DeepPath: Overcoming data scarcity for protein transition pathway prediction using physics-based deep learningDeepPath：利用基于物理的深度学习克服蛋白质转换路径预测中的数据稀缺问题
errchem. sci.
IF0
err2026-05-05
err0
errOAAI
errYui Tik Pang; Lixinhao Yang; Katie Kuo; James Gumbart
err分享
err收藏
Free-Energy Landscapes of HBV Hexamer Closure Reveal Key Structural Features of the TransitionHBV六聚体闭合的自由能景观揭示了过渡态的关键结构特征
errJournal of Chemical Theory and Computation
IF5.5
err2026-05-04
err0
errOAAI
errZixing Fan; Anna Pavlova; Diane L. Lynch; Christophe Chipot; James C. Gumbart
err分享
err收藏
SMARCB1 missense mutants disrupt SWI/SNF complex stability and remodeling activitySMARCB1错义突变体破坏SWI/SNF复合物的稳定性和重塑活性
errNature Communications
IF15.7
err2026-04-08
err0
errOAAI
errGarrett W. Cooper; Benjamin P. Lee; Won Jun Kim; Yongdong Su; Victor Z. Chen; Eliseo Salas; Xiaoping Yang; Robert E. Lintner; Federica Piccioni; Andrew O. Giacomelli; Thomas P. Howard; Pritha Bagchi; Karen N. Conneely; David E. Root; Bo Liang; James C. Gumbart; William C. Hahn; David U. Gorkin; Jaclyn A. Biegel; Susan N. Chi; Andrew L. Hong
err分享
err收藏
Structural insights into the mechanism underpinning iron piracy in pathogenic Neisseria致病性奈瑟氏菌铁掠取机制的结构洞察
errScience Advances
IF12.5
err2026-04-03
err0
errOAAI
errShubham Dubey; Julie Stoudenmire; Gabriel Bury; Lixinhao Yang; Zixing Fan; Peihang Li; Gauree Wadhwa; Yulia Pushkar; James C. Gumbart; Cynthia Nau Cornelissen; Nicholas Noinaj
err分享
err收藏
Martini 3 as a Transferable Force Field for Lipopolysaccharide ParametrizationMartini 3 作为可转移力场用于脂多糖参数化
errThe Journal of Physical Chemistry B
IF2.9
err2026-03-12
err0
errOAAI
errGvantsa Gutishvili; Diane L. Lynch; James C. Gumbart
err分享
err收藏
BPS2026 – What can a machine learn from a force-field?BPS2026——机器能从力场中学到什么？
errBiophysical Journal
IF3.1
err2026-02-19
err0
PREAI
errJonathan Hungerland; Lan Yang; James C. Gumbart; Ilia A. Solov'yov
err分享
err收藏
The dynamic lateral gate of the mitochondrial β-barrel biogenesis machinery is blocked by darobactin A线粒体β-桶状蛋白生物发生机器的动态侧向门被darobactin A阻断。
errNature Communications
IF15.7
err2025-11-20
err0
errOAAI
errKathryn A. Diederichs; Istvan Botos; Scout Hayashi; Gvantsa Gutishvili; Vadim Kotov; Katie Kuo; Akira Iinishi; Gwendolyn Cooper; Benjamin Schwarz; Herve Celia; Thomas C. Marlovits; Kim Lewis; James C. Gumbart; Joseph A. Mindell; Susan K. Buchanan
err分享
err收藏
Weighted Ensemble Simulations Reveal Novel Conformations and Modulator Effects in Hepatitis B Virus Capsid Assembly加权群集模拟揭示了乙型肝炎病毒衣壳组装的新型构象和调节剂效应
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-11-01
err0
PREAI
errLynch, Diane L.; Pavlova, Anna; Fan, Zixing; Gumbart, James C.
err分享
err收藏
Structural insights into outer membrane protein biogenesis in pathogenic Neisseria致病奈瑟菌外膜蛋白生物合成的结构见解
errStructure
IF4.3
err2025-09-02
err0
PREAI
errEvan Billings; Zixing Fan; Moloud Aflaki Sooreshjani; James C. Gumbart; Nicholas Noinaj
err分享
err收藏
Calculating Free-Energy Differences Using an Average Force: A Tutorial for Adaptive Biasing Force Simulations利用平均力计算自由能差异：自适应偏置力模拟教程
errJOURNAL OF PHYSICAL CHEMISTRY B
IF2.9
err2025-09-01
err0
PREAI
errTalmazan, Radu A.; Fu, Haohao; Zhou, Mengchen; Henin, Jerome; Gumbart, James C.; Chipot, Christophe
err分享
err收藏
Machine Learning of Molecular Dynamics Simulations Provides Insights into the Modulation of Viral Capsid Assembly分子动力学模拟的机器学习为病毒衣壳组装的调控提供了见解
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2025-05-08
err0
errOAAI
errPavlova, Anna; Fan, Zixing; Lynch, Diane L.; Gumbart, James C.
err分享
err收藏
Recent Advances in Membrane Protein Simulations膜蛋白模拟的近期进展
errJOURNAL OF PHYSICAL CHEMISTRY B
IF2.9
err2025-03-13
err0
PREAI
errGumbart, JC; Hanson, SM
err分享
err收藏
Probing the Dynamics of Yersinia Adhesin A (YadA) in Outer Membranes Hints at Requirements for β-Barrel Membrane Insertion探究耶尔森菌黏附素A（YadA）在外膜中的动力学，暗示了β桶状膜插入的需求。
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2025-02-27
err0
errOAAI
errYarava, Jayasubba Reddy; Orwick-Rydmark, Marcella; Ryoo, David; Hofstetter, Albert; Gumbart, James C.; Habeck, Michael; van Rossum, Barth-Jan; Linke, Dirk; Oschkinat, Hartmut
err分享
err收藏
Conserved lipid-facing basic residues promote the insertion of the porin OmpC into the E. coli outer membrane保守的面向脂质的碱性残基促进孔蛋白OmpC插入大肠杆菌外膜
errMBIO
IF4.7
err2025-02-20
err0
errOAAI
errPeterson, Janine H.; Yang, Lixinhao; Gumbart, James C.; Bernstein, Harris D.
err分享
err收藏
Allosteric coupling of substrate binding and proton translocation in MmpL3 transporter from Mycobacterium tuberculosis
errMBIO
IF4.7
err2024-10-16
err1
errOAAI
errBabii, Svitlana; Li, Wei; Yang, Lixinhao; Grzegorzewicz, Anna E.; Jackson, Mary; Gumbart, James C.; Zgurskaya, Helen I.
err分享
err收藏
Generative b-hairpin design using a residue-based physicochemical property landscape
errBIOPHYSICAL JOURNAL
IF3.1
err2024-09-01
err1
errOAAI
errSatalkar, Vardhan; Degaga, Gemechis D.; Li, Wei; Pang, Yui Tik; McShan, Andrew C.; Gumbart, James C.; Mitchell, Julie C.; Torres, Matthew P.
err分享
err收藏
Molecular Dynamics Reveals Altered Interactions between Belzutifan and HIF-2 with Natural Variant G323E or Proximal Phosphorylation at T324
errACS OMEGA
IF4.3
err2024-08-26
err1
errOAAI
errNatarajan, Vishva; Satalkar, Vardhan; Gumbart, James C.; Torres, Matthew
err分享
err收藏
Seeing is believing: Illuminating the Gram-negative outer membrane with molecular dynamics simulations
errCURRENT OPINION IN STRUCTURAL BIOLOGY
IF7
err2024-08-01
err1
PREAI
errGutishvili, Gvantsa; Yang, Lixinhao; Gumbart, James C.
err分享
err收藏
SANS reveals lipid-dependent oligomerization of an intramembrane aspartyl protease from H. volcanii
errBIOPHYSICAL JOURNAL
IF3.1
err2024-07-01
err0
PREAI
errThomas, Gwendell M.; Wu, Yuqi; Leite, Wellington; Pingali, Sai Venkatesh; Weiss, Kevin L.; Grant, Arshay J.; Diggs, Monneh W.; Schmidt-Krey, Ingeborg; Gutishvili, Gvantsa; Gumbart, James C.; Urban, Volker S.; Lieberman, Raquel L.
err分享
err收藏

研究方向

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合作学者
合作期刊
Y
Younan Xia
H 指数: 230 · 论文数: 1.2K
W
William C. Hahn
H 指数: 147 · 论文数: 1.1K
K
Klaus Schulten
H 指数: 145 · 论文数: 718
M
Michael L. Dustin
H 指数: 129 · 论文数: 831
B
Benoı̂t Roux
H 指数: 128 · 论文数: 722
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