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2021 JPC – PHYS Division Lectureship Award to Shukla Group!

April 7, 2021

The Journal of Physical Chemistry– PHYS Division Lectureship Awards honor the contributions of investigators who have made major impacts on the field of physical chemistry in the research areas associated with each section of the journal – JPC A, JPC B, and JPC C.  Prof. Shukla is the recipient for the JPC B (Biophysics) section of the journal. Our research group has published many research articles in the Journal of Physical Chemistry. Furthermore, our research group has published a total of 35 papers in physical chemistry related journals published by ACS such as Journal of American Chemical Society, ACS Central Science, Journal of Chemical Theory and Computation and Langmuir. The award winners give an invited lecture in the PHYS Division Awards Symposium at Fall 2021 ACS meeting.

Check out the list of our publications in The Journal of Physical Chemistry below. For more detailed interview of the awardees, please read the news article from ACS Axial. https://axial.acs.org/2021/03/31/2021-jpc-lectureship-winners-announced/

[16] Z. Shamsi, M. Chan, and D. Shukla*, TLmutation: Predicting the Effects of Mutations Using Transfer Learning. J. Phys. Chem. B, Vol. 124 (19), 3845-3854, 2020. Invited article for the Special issue on Machine Learning in Physical Chemistry.

[15] J. Feng and D. Shukla*, FingerprintContacts: Predicting Alternative Conformations of Proteins from Coevolution. J. Phys. Chem. B, Vol. 124 (18), 3605–3615, 2020.

[14] F. Aldukhi, A. Deb, C. Zhao, A. S. Moffett and D. Shukla*, Molecular Mechanism of Brassinosteroids Perception by the Plant Growth Receptor BRI1. J. Phys. Chem. B, Vol. 124, 355-365, 2019.

[13] K. Cheng, B. Selvam, L.-Q. Chen and D. Shukla*, Distinct Substrate Transport Mechanism Identified in Homologous Sugar Transporters. J. Phys. Chem. B, Vol. 123, 8411–8418, 2019.

[12] D. Guin, S. Mittal, D. Shukla* and M. Gruebele*, Dodine as a Kosmo-Chaotropic Agent. J. Phys. Chem. Lett, Vol. 10, 2600–2605, 2019.

[11] S. Mittal and D. Shukla*, Maximizing Kinetic Information Gain of Markov State Models for Optimal Design of Spectroscopy Experiments. J. Phys. Chem. B, Vol. 122, 10793–10805, 2018.

[10] Z. Shamsi, K. J. Cheng, D. Shukla*, Reinforcement learning based adaptive sampling: Reaping rewards by exploring protein conformational landscapes., J. Phys. Chem. B, Vol. 122, 8386–8395, 2018.

[9] J. Feng and D. Shukla*. Characterizing Conformational Dynamics of Proteins using Evolutionary Cou- plings., J. Phys. Chem. B, Vol. 122, 1017-1025, 2018.

[8] S. Mittal and D. Shukla*, Optimal Probes: An algorithm for predicting probe positions for double electron electron resonance spectroscopy. J. Phys. Chem. B, Vol. 121, 9761-70, 2017. Cover article

[7] D. Shukla, C. P. Schneider and B. L. Trout, Effect of PAMAM Dendrimer Salts on Protein Stability. J. Phys. Chem. Lett., Vol. 2, No. 114, 1782-1788, 2011.

[6] D. Shukla, and B. L. Trout, Understanding the Synergistic Effect of L-Arg and L-Glu Mixtures on Protein Solubility. J. Phys. Chem. B, Vol. 115, No. 41, 11831-11839, 2011.

[5] C. P. Schneider#, D. Shukla# and B. L. Trout, Arginine and the Hofmeister Series: The Role of Ion-Ion Interactions in Protein Aggregation Suppression. J. Phys. Chem. B, Vol. 115, No. 22, 7447-7458, 2011. # denotes co-first author

[4] D. Shukla, L. Zamolo, C. Cavallotti and B. L. Trout, Understanding the Role of Arginine as an Eluent in Affinity Chromatography via Molecular Computations. J. Phys. Chem. B, Vol. 115, No. 11, 2645-2654, 2011.

[3] D. Shukla and B. L. Trout, Preferential Interaction Coefficients of Proteins in Aqueous Arginine solutions and its molecular origins. J. Phys. Chem. B, Vol. 115, No. 5, 1243-1253, 2011.

[2] D. Shukla and B. L. Trout, On the Interaction of Arginine with Proteins and the Mechanism by Which it Inhibits Aggregation J. Phys. Chem. B, Vol. 114, No. 42, Pages 13426-13438, 2010.

[1] D. Shukla, C. Shinde and B. L. Trout, Molecular Computations of Preferential Interaction Coefficients of Proteins. J. Phys. Chem. B, Vol. 113, No. 37, Pages 12456-12554, 2009.