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Laxman M. Alakonda

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Articles

Contact-Network Phenotyping of the CDK Family Reveals Selective Distal C-Lobe Contact Redistribution by Modern CDK5 Inhibitors and a Quantitative Selectivity Landscape against CDK2 and CDK1 Click to copy article link Article link copied!

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By Laxman M. Alakonda, Khaled Elokely
| dx.doi.org
1. Introduction Click to copy section linkSection link copied! Cyclin-dependent kinase 5 (CDK5) is a serine/threonine kinase with essential roles in neuronal development, synaptic plasticity, pain signaling, and brain homeostasis. (1−4) Unlike other CDK family members, CDK5 is activated by the noncyclin partners (5) p25 and p35 rather than by canonical cyclins, and its dysregulation is implicated in Alzheimer’s disease, Parkinson’s disease, neuropathic pain, and stroke.
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Defining the Data set Defines the QSAR Claim

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By Khaled Elokely, Laxman M. Alakonda
| dx.doi.org
QSAR has always been a paradoxical discipline: it promises generalizable predictions from molecular structure, yet its validity depends entirely on the quality and meaning of the experimental data behind those predictions. The Hansch–Fujita formulation made this explicit by anchoring models in comparable chemical series and well-defined end points rather than algorithmic novelty alone.
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