Aravind Prasad Email & Phone Number

Boston, Ma, Us

Lexington, Massachusetts, Us

> Established a Computational Chemistry function in the Drug Discovery organization> Deployed desktop and web based computational tools to Medicinal Chemists and trained them> Provide computational chemistry support for epigenetic targets--> Utilized molecular dynamics (MD) to -->--> predict binding modes and rationalize the SAR of small molecules with unknown binding pockets-->--> identifying potential pocket extensions created by the flexibility of the protein-->--> understanding the dynamics of water molecules in a pocket> Develop KNIME based cheminformatics and computational chemistry pipelining tools for--> Diversity analysis of vendor libraries--> Molecular property predictions--> Chemical clustering--> Searching the PDB using small molecule substructure/similarity--> Free Wilson analysis--> Docking small molecules to protein targets and filtering poses> Applied machine learning for predicting molecular properties, synthesizability> Supported the selection of next generation targets and proposed a potential therapeutic target

Lawrence Township, Nj, Us

Summit, New Jersey, Us

Scientist I (Feb 2014 – Nov 2019)Senior Associate Scientist (May 2012 – Feb 2014)> Continued developing and supporting the Avilomics™ platform> Providing computational chemistry support for small molecule drug discovery program--> Integrated computational chemistry efforts into decision making triages--> Identified novel targets and recruited the support of chemists and biologists to collectively obtain leadership consent to take them forward as drug discovery programs--> Ternary complex modeling for Ligand Directed Degradation and Cereblon E3 Ligase Modulator (CELMoD) mediated degradation projects--> Evaluated druggability of targets by small molecules through -->--> Binding site identification and analysis, -->--> homology modeling, -->--> docking studies, -->--> molecular dynamics studies, -->--> virtual screening studies, -->--> potential off-target predictions, -->--> statistical modeling for predicting molecular properties, -->--> scaffold hopping, -->--> target hopping.> Exploiting Machine Learning, Deep Learning and AI to improve in silico studies--> Statistical models for predicting ADME (HIA, PPB, CYPs), hERG, solubility, logP, etc.--> Improving docking results--> Selectivity prediction--> Molecular growth--> Retrosynthetic pathway predictions and synthesizability assessments> Utilized the power of cloud computing (AWS) for virtual screening, molecular dynamics studies and deep learning driven molecular property prediction> Providing domain expertise to the design, development and testing of scientific IT projects--> Dotmatics Data Fusion, Live Design

Us

> Developed the Avilomics™ Platform for driving new therapeutic programs--> The platform delivered multiple drug candidates and contributed to the company’s evaluation at close to USD 1 billion and acquisition by Celgene--> Built a unique cross-dimensional knowledge utilization platform that allowed rapid identification and prosecution of proteins targetable through covalent modification using small molecules> Responsible for identifying targets that can be silenced using covalent small molecules and early target support for these projects

> Provided computational chemistry and bioinformatics consulting services to life sciences companies in India and the US

Hyderabad, Telangana, In

> Team leader and manager for a client project to design and develop a first of its kind integrated expert system of cheminformatics applications. This expert system:--> interfaces computational and medicinal chemists – bringing computational models, SAR analysis and structure-based optimization tools to medicinal chemists--> provides tools for extracting meaningful information from data by both experts and non-experts.--> facilitates sharing of data and information among scientists and the annotation of such shared material.> Developed and trained a microarray data analysis service team using commercial and open source tools> Developed a program and managed a team to provide statistical data analysis, mining and modeling services based on GVK Bio's knowledge-bases using informatics data pipelining tools> Rapid protocol development of bioinformatics applications using Taverna> Managed an in-house project for generating chemical descriptors

Cambridge, Ma, Us

> Designed a new virtual screening tool to provide improved enrichment> Developed a novel method to improve 3D binding mode prediction of known kinase inhibitors from their 2D structures> Initiated a data-mining project to analyze kinase-inhibitor specificity> Benchmarked the utility of competing kinase-inhibitor knowledge-bases resulting in the decision to purchase one of them> Developed an automated core scaffold identification tool and methods to analyze the chemical space covered by patents> Co-developed a novel approach to in silico fragment-based drug design> Provided virtual screening and docking support to the chemistry group on four small molecule projects. Improved and automated the virtual screening pipeline using Catalyst. Resulted in a 3-fold increase in efficiency. Designed and optimized pharmacophores used in the screening

Ms, Bioinformatics

Bachelor Of Engineering, Electronics And Communications Engineering

10Th Standard, Indian Certificate Of Secondary Education (Icse)