Jaya Krishna Koneru

Clustering Heterogeneous Conformational Ensembles of Intrinsically Disordered Proteins with t-Distributed Stochastic Neighbor Embedding

Rajeswari Appadurai, Jaya Krishna Koneru, Massimiliano Bonomi et al. · Journal of Chemical Theory and Computation · 2023 · 47 citations · Full text

Engineering, Molecular Biology, Conformational Heterogeneity +21

DNA-Functionalized Gold Nanorods for Perioperative Optical Imaging and Photothermal Therapy of Triple-Negative Breast Cancer

Suchetan Pal, Jaya Krishna Koneru, Chrysafis Andreou et al. · ACS Applied Nano Materials · 2022 · 30 citations

Nanoparticles, Engineering, Metal Nanoparticles +16

Quantitative Assessment of the Conformational Heterogeneity in Amylose across Force Fields

Jaya Krishna Koneru, Xiao Zhu, Jagannath Mondal · Journal of Chemical Theory and Computation · 2019 · 29 citations

In Silico Reoptimization of Binding Affinity and Drug-Resistance Circumvention Ability in Kinase Inhibitors: A Case Study with RL-45 and Src Kinase

Jaya Krishna Koneru, Suman Sinha, Jagannath Mondal · The Journal of Physical Chemistry B · 2019 · 12 citations

Src Kinase, Drug Target, Engineering +20

Molecular dynamics simulations elucidate oligosaccharide recognition pathways by galectin-3 at atomic resolution

Jaya Krishna Koneru, Suman Sinha, Jagannath Mondal · Journal of Biological Chemistry · 2021 · 10 citations · Full text