Charles Lin Email & Phone Number

Formerly known as Athae Bio

Designed and implemented end to end workflow for peptide binding and parameterization to support complex small peptides (cyclic, crosslinked, non standard backbones, etc)Implemented more accurate fragmentation schemes for faster & more accurate quantum calculationsWorked on several approaches to increase speed in GPU codes (from hardware level to low level kernel codes)Increased stability of code base by fixing underlying causes of client issuesImplemented methodology to increase accuracy of small molecule binding free energy calculations

Wrote efficient GPU-accelerated parallel algorithms for Dart Neurosciences to boost Poisson-Boltzmann calculations (2016-2017)HPC Consultant for a VA Hospital (2021)Grant writer to a small startup (TocsTech) for an EPA SBIR grant (2021)Worked on a pandemic project (CTRL+V), a no-code NFT generator that could also deploy on several chains, which became a grant recipient (2021-2022)

New York, New York, Us

Helped improve processes by up to 60% in computational screening throughput Helped improve accuracy of assessing binding properties by up to 20%Created novel visualization tools to accurately assess hotspots for compound during lead optimizationFixed fault tolerance in code bases to decrease failure rates by 99% by identifying and fixing crucial bugs

Same as previous title.Also explored using machine learning methods to accurately predict small molecules binding properties by utilizing voxel-based CNN calculationsDeveloped, implemented, and created a front end (via pymol) for energy decomposition, a novel tool to assess individual free energy of atoms in a molecular binding orientation.

Develop, implement, and optimize algorithms for drug discovery on CPU+GPUsMove Molecular Dynamics to next generation hardwares (FPGAs + newer CPU/GPU architectures)Develop and implement workflows that help drive drug discovery projectsImplemented and expanded on methodology to increase prediction of ligand binding off ratesCreate novel methodology and visualization tools to accurately assess small molecule properties

Brentford, Middlesex, Gb

Software development for high performance computing machines (GPU boxes, supercomputers, etc)Novel methodologies (Free energy calculations, protein binding, small molecule permeability)Software optimizations1.) Work with Intel on CPU optimizations towards high/mid bin Intel Xeon/Xeon Phi processors for single and multi-thread (http://ambermd.org/intel/index.htm)2.) Work on GPU acceleration (CUDA & a bit of ROCm)

La Jolla, California, Us

Code optimizationMethods DevelopmentBiomolecular Software DevelopmentAnalysis of molecular systemsIT Administration for Walker Lab

Doctor Of Philosophy (Ph.D.), Chemistry

Bachelor Of Science (B.S.), Pharmaceutical Sciences