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The Journal of Biological Chemistry
|
October 7, 2021
Molecular dynamics simulations elucidate oligosaccharide recognition pathways by galectin-3 at atomic resolution
Jaya Krishna Koneru, Suman Sinha, Jagannath Mondal
Journal of Chemical Theory and Computation
|
September 28, 2019
Quantitative Assessment of the Conformational Heterogeneity in Amylose across Force Fields
Jaya Krishna Koneru, Xiao Zhu, Jagannath Mondal
The Journal of Physical Chemistry. B
|
July 17, 2019
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
Journal of Chemical Theory and Computation
|
February 13, 2026
Machine Learning and Computer Simulation Disentangle the Fuzzy Inhibitor Binding by Hsp90
Mohammad Sahil, Jaya Krishna Koneru, Jagannath Mondal
Journal of Chemical Theory and Computation
|
June 20, 2023
Clustering Heterogeneous Conformational Ensembles of Intrinsically Disordered Proteins with t-Distributed Stochastic Neighbor Embedding
Rajeswari Appadurai, Jaya Krishna Koneru, Massimiliano Bonomi, et al.
Biophysical Journal
|
September 3, 2021
Spontaneous transmembrane pore formation by short-chain synthetic peptide
Jaya Krishna Koneru, Dube Dheeraj Prakashchand, Namita Dube, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 6) with videos related to
Sort By:
Page
of 1
The Journal of Biological Chemistry
|
October 7, 2021
Molecular dynamics simulations elucidate oligosaccharide recognition pathways by galectin-3 at atomic resolution
Jaya Krishna Koneru, Suman Sinha, Jagannath Mondal
Journal of Chemical Theory and Computation
|
September 28, 2019
Quantitative Assessment of the Conformational Heterogeneity in Amylose across Force Fields
Jaya Krishna Koneru, Xiao Zhu, Jagannath Mondal
The Journal of Physical Chemistry. B
|
July 17, 2019
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
Journal of Chemical Theory and Computation
|
February 13, 2026
Machine Learning and Computer Simulation Disentangle the Fuzzy Inhibitor Binding by Hsp90
Mohammad Sahil, Jaya Krishna Koneru, Jagannath Mondal
Journal of Chemical Theory and Computation
|
June 20, 2023
Clustering Heterogeneous Conformational Ensembles of Intrinsically Disordered Proteins with t-Distributed Stochastic Neighbor Embedding
Rajeswari Appadurai, Jaya Krishna Koneru, Massimiliano Bonomi, et al.
Biophysical Journal
|
September 3, 2021
Spontaneous transmembrane pore formation by short-chain synthetic peptide
Jaya Krishna Koneru, Dube Dheeraj Prakashchand, Namita Dube, et al.
Page
of 1