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Optics Express|February 15, 2012
Spontaneous decay of CdSe/ZnS core-shell quantum dots at the air-dielectric interfaceLei Zhu, Sarath Samudrala, Nikolai Stelmakh, et al.
Pharmaceuticals (Basel, Switzerland)|March 27, 2025
GNNSeq: A Sequence-Based Graph Neural Network for Predicting Protein-Ligand Binding AffinitySomanath Dandibhotla, Madhav Samudrala, Arjun Kaneriya, et al.
Journal of Chemical Information and Modeling|February 19, 2020
CANDOCK: Chemical Atomic Network-Based Hierarchical Flexible Docking Algorithm Using Generalized Statistical PotentialsJonathan Fine, Janez Konc, Ram Samudrala, et al.
Plos One|April 25, 2014
Prediction and analysis of canonical EF hand loop and qualitative estimation of Ca²⁺ binding affinityMohit Mazumder, Narendra Padhan, Alok Bhattacharya, et al.
Biorxiv : the Preprint Server for Biology|February 12, 2026
Uncovering novel therapeutics for schizophrenia: a multitarget approach using the CANDO platformYakun Hu, Katherine Elefteriou, Zackary Falls, et al.
BMC Evolutionary Biology|August 13, 2009
Comprehensive computational analysis of Hmd enzymes and paralogs in methanogenic ArchaeaAaron D Goldman, John A Leigh, Ram Samudrala
Biochimica Et Biophysica Acta|July 25, 2014
Crystal structure of serine acetyl transferase from Brucella abortus and its complex with coenzyme ASudhir Kumar, Nitesh Kumar, Neelima Alam, et al.
Frontiers in Chemistry|February 3, 2022
Accurate Prediction of Inhibitor Binding to HIV-1 Protease Using CANDOCKZackary Falls, Jonathan Fine, Gaurav Chopra, et al.
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