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

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

SAXS-guided Enhanced Unbiased Sampling for Structure Determination of Proteins and Complexes

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

Enhanced unbiased sampling of protein dynamics using evolutionary coupling information

Scientific Reports, 7(1), 2017
Zahra Shamsi and Alexander S. Moffett and Diwakar Shukla

Dynamic-template-directed multiscale assembly for large-area coating of highly-aligned conjugated polymer thin films

Nature Communications, 8(1), 2017
Erfan Mohammadi and Chuankai Zhao and Yifei Meng and Ge Qu and Fengjiao Zhang and Xikang Zhao and Jianguo Mei and Jian-Min Zuo and Diwakar Shukla and Ying Diao

Molecular dynamics simulations reveal the conformational dynamics ofArabidopsis thalianaBRI1 and BAK1 receptor-like kinases

Journal of Biological Chemistry, 292(30): 12643-12652, 2017
Alexander S. Moffett and Kyle W. Bender and Steven C. Huber and Diwakar Shukla

Predicting Optimal DEER Label Positions to Study Protein Conformational Heterogeneity

The Journal of Physical Chemistry B, 121(42): 9761-9770, 2017
Shriyaa Mittal and Diwakar Shukla

Allosteric Control of a Plant Receptor Kinase through S-Glutathionylation

Biophysical Journal, 113(11): 2354-2363, 2017
Alexander S. Moffett and Kyle W. Bender and Steven C. Huber and Diwakar Shukla

Crops In Silico: Generating Virtual Crops Using an Integrative and Multi-scale Modeling Platform

Frontiers in Plant Science, 8, 2017
Amy Marshall-Colon and Stephen P. Long and Douglas K. Allen and Gabrielle Allen and Daniel A. Beard and Bedrich Benes and Susanne von Caemmerer and A. J. Christensen and Donna J. Cox and John C. Hart and Peter M. Hirst and Kavya Kannan and Daniel S. Katz and Jonathan P. Lynch and Andrew J. Millar and Balaji Panneerselvam and Nathan D. Price and Przemyslaw Prusinkiewicz and David Raila and Rachel G. Shekar and Stuti Shrivastava and Diwakar Shukla and Venkatraman Srinivasan and Mark Stitt and Matthew J. Turk and Eberhard O. Voit and Yu Wang and Xinyou Yin and Xin-Guang Zhu

Application of hidden Markov models in biomolecular simulations

Hidden Markov Models, Springer: 29-41, 2017
Shukla, Saurabh and Shamsi, Zahra and Moffett, Alexander S and Selvam, Balaji and Shukla, Diwakar