Ray Unwalla Email & Phone Number

Senior Computational Chemist with extensive drug discovery experience and a proven track record of accomplishments in the area of Nuclear Hormone Receptor and Kinase. In depth knowledge of various computational tools and techniques to efficiently drive project goals. As part of a multi-disciplinary team, designed and optimized novel chemical entities and enabled effective application of computational tools to directly impact analogs synthesized by medicinal chemists. Contributed significantly to the computational efforts leading to the discovery of three drugs: DUTASTERIDE for benign prostate hyperplasia, ABROCITINIB, a JAK1 selective inhibitor for atopic dermatitis, and LITFULO, a JAK3 covalent inhibitor for alopecia areata. The computational analyses directly influenced the design of these drug candidates. Excellent medicinal chemistry insight, communication skills and a passion for drug discovery. Clear, effective written & communication skills, Good knowledge of CADD-related infrastructure and technology.Ability to work in a multi-disciplinary team environment with members of other teams.Specialties: In depth knowledge of techniques used in computer aided drug design with a strong background in computational chemistry. Expertise include structure based drug design, ADMET liability modeling. molecular dynamics, quantum mechanics, QSAR, virtual screening, pharmacophore generation, Data mining & HTS analysis. Experience in applying these techniques to design entites(small molecules/peptides/libraries) for Nuclear Hormone Receptor and kinase projects.

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  Louisiana State University

  Physical Organic Chemsitry