Publications : Journal Article

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Divalent cations promote TALE DNA-binding specificity

Nucleic Acids Research, 48(3): 1406-1422, 2019
Luke Cuculis and Chuankai Zhao and Zhanar Abil and Huimin Zhao and Diwakar Shukla and Charles M Schroeder
Medicine
BibTeX
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Universality of the Sodium Ion Binding Mechanism in Class A G-Protein-Coupled Receptors

Angewandte Chemie, 130(12): 3102-3107, 2018
Balaji Selvam and Zahra Shamsi and Diwakar Shukla
Medicine
BibTeX
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Maximizing Kinetic Information Gain of Markov State Models for Optimal Design of Spectroscopy Experiments

The Journal of Physical Chemistry B, 122(48): 10793-10805, 2018
Shriyaa Mittal and Diwakar Shukla
Methods
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Free Energy Landscape of the Complete Transport Cycle in a Key Bacterial Transporter

ACS Central Science, 4(9): 1146-1154, 2018
Balaji Selvam and Shriyaa Mittal and Diwakar Shukla
Plant BiologyMedicine
BibTeX
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Recruiting machine learning methods for molecular simulations of proteins

Molecular Simulation, 44(11): 891-904, 2018
Shriyaa Mittal and Diwakar Shukla
Methods
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Reinforcement Learning Based Adaptive Sampling: REAPing Rewards by Exploring Protein Conformational Landscapes

The Journal of Physical Chemistry B, 122(35): 8386-8395, 2018
Zahra Shamsi and Kevin J. Cheng and Diwakar Shukla
Methods
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Characterizing Conformational Dynamics of Proteins Using Evolutionary Couplings

The Journal of Physical Chemistry B, 122(3): 1017-1025, 2018
Jiangyan Feng and Diwakar Shukla
Methods
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Automatic Feature Selection in Markov State Models Using Genetic Algorithm

Journal of Computational Science Education, 9(2): 14-22, 2018
Chen, Qihua and Feng, Jiangyan and Mittal, Shriyaa and Shukla, Diwakar
Methods
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Using molecular simulation to explore the nanoscale dynamics of the plant kinome

Biochemical Journal, 475(5): 905-921, 2018
Alexander S. Moffett and Diwakar Shukla
Plant Biology
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SAXS-guided Enhanced Unbiased Sampling for Structure Determination of Proteins and Complexes

Scientific Reports, 8(1), 2018
Chuankai Zhao and Diwakar Shukla
Plant BiologyMethods
BibTeX