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publications
Innovating a Centuries-Old Sport: How Emerging Data Analytics Tools Are Redefining Cricket
Published in Harvard Data Science Review, 2023
Cricket is one of the oldest organized sports in the world, originating in the late 16th century. In this article, Kavya Shah and I describe developments in the marriage of data science and cricket that have the potential to bring a SABR-like revolution to the sport. Find the article here.
Recommended citation: Shah, K. M., & Saeed, A. A. (2023). Innovating a Centuries-Old Sport: How Emerging Data Analytics Tools Are Redefining Cricket. Harvard Data Science Review, 5(2). https://doi.org/10.1162/99608f92.1ea13423 https://doi.org/10.1162/99608f92.1ea13423
Mapping protein conformational landscapes from crystallographic drug fragment screens
Published in biorxiv, 2023
Proteins are dynamic macromolecules. Knowledge of a protein’s thermally accessible conformations is critical to determining important transitions and designing therapeutics. Accessible conformations are highly constrained by a protein’s structure such that concerted structural changes due to external perturbations likely track intrinsic conformational transitions. These transitions can be thought of as paths through a conformational landscape. Crystallographic drug fragment screens are high-throughput perturbation experiments, in which thousands of crystals of a drug target are soaked with small-molecule drug precursors (fragments) and examined for fragment binding, mapping potential drug binding sites on the target protein. Here, we describe an open-source Python package, COLAV (COnformational LAndscape Visualization), to infer conformational landscapes from such large-scale crystallographic perturbation studies. We apply COLAV to drug fragment screens of two medically important systems: protein tyrosine phosphatase 1B (PTP-1B), which regulates insulin signaling, and the SARS CoV-2 Main Protease (MPro). With enough fragment-bound structures, we find that such drug screens also enable detailed mapping of proteins’ conformational landscapes. Find the article here.
Recommended citation: Saeed, A.A., Klureza, M.A., and Hekstra, D.R. (2024). Mapping protein conformational landscapes from crystallographic drug fragment screens. bioRxiv, 2024.2007.2029.605395. 10.1101/2024.07.29.605395. https://doi.org/10.1101/2024.07.29.605395
talks
Talk 1 on Relevant Topic in Your Field
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This is a description of your talk, which is a markdown files that can be all markdown-ified like any other post. Yay markdown!
Conference Proceeding talk 3 on Relevant Topic in Your Field
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teaching
College Python Boot Camp
Remote, Harvard Physics Department, 1900
I have helped out with this course during the Fall 2021 and Spring 2022 terms. I held open office hours for students both in-person and remotely.
Stat110: Introduction to Probability Theory
Undergraduate, Harvard Statistics Department, 1900
I co-taught this course with Kavya Shah in the Fall of 2021 and 2022. Together, we prepared materials for and led a discussion section, held joint office hours, and graded problem sets and exams.
Stat111: Introduction to Statistical Inference
Undergraduate, Harvard Statistics Department, 1900
I taught this course during the Spring 2022 term. I prepared handwritten materials to lead a discussion section, held joint office hours with Ginnie Ma and Rachel Li, and graded problem sets and exams. I co-taught this course with Julian Wagner-Carena in the Spring of 2023.