|CCL 19.11.13 Computational Scientist (AI/MD/Quantum/Drug Design) ], South Korea|
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Date: Mon Nov 18 03:35:44 2019
Subject: 19.11.13 Computational Scientist (AI/MD/Quantum/Drug Design) ], South Korea
Company Introduction PharmCADD is a company motivated to accelerate the drug discovery process that designs a drug without building and maintaining huge infrastructure associated with high-performance computational resources. Our platform is built for both design and discovery and is powered by state-of-the-art technologies e.g., AI (Artificial intelligence), ML (Machine Learning), DL (Deep Learning), Molecular Dynamics (MD) and QM/MM simulation. AI, which is data-derived technology emerges as a new trend that could potentially be very revolutionary in the modern world. It enables users to accelerate the search for a certain or specific drug candidate in the vast existence of virtual chemical space. Also, MD and quantum calculation, physics-based technologies, it enables users to characterize potential drug candidates more accurately. The effective combination of the data-derived and physics-based technologies leads to more accurate and speedier the drug discovery process. Location: #307 Intellium Centum, 21 Centum 6-ro, Haeundae-gu, Busan, Republic of Korea #9F, 38 Yeongdong-daero 85-gil, Gangnam-gu, Seoul, Republic of Korea Tel: 82+-2-564-5688 Fax: 82+-2-564-5685 E-mail: info . pharmcadd.com 1. Computational Scientist (AI) PharmCADD We are looking for an expert in developing software for protein structure prediction and study protein-ligand interaction based on AI/ML/DL. The aim of our group is to use artificial intelligence, machine learning, and deep learning to understand how drug molecule interacts with the target proteins. Our current research objective is to design and train deep neural networks to understand protein structure, function, and dynamics. Research Areas - AI/ML/DL based protein structure prediction, protein structure function dynamics and protein-ligand interaction - Training protein (using PDB structures) based on Neural network/Machine Learning/AI Required Qualifications - Academic degrees in computational science, computational biology, and chemistry or related field preferred. - Experience in various algorithms and techniques in the area of AI/ML/DL is required - Experience in a few programming languages and scripting languages are required e.g., Python, etc. - Experience in Molecular Dynamic Simulations and Force Field is required - Extensive knowledge in protein biophysics and structural bioinformatics is preferred - Extensive knowledge in protein structure function dynamics and protein-ligand interaction - Extensive knowledge in medicinal chemistry, drug design process, MOA of a drug is preferred - Candidate with a computer science background is preferred - Big Data Analysis and Machine Learning 2. Computational Scientist (Drug Design) PharmCADD We are looking for an expert in CADD, computational medicinal chemistry, pharmacoinformatics, cheminformatics, and bioinformatics. Experience in HTS data analysis, hypothesis generation, SAR generation, virtual screening, lead generation, and lead optimization is preferred. Research Areas - Computer-Aided Drug Design (CADD) Methods and Applications - Structure based drug design, Molecular Docking, Homology Modeling - Ligand based drug design, Pharmacophore Modeling - Cheminformatics, 3D-QSAR, PK/PD data analysis, PK/PD properties predictions - HTS Data Analysis, hypothesis generation, SAR development, Virtual Screening - LEAD generation and LEAD optimization - Protein-Ligand Interaction & their Mechanism of Action Studies - Molecular Design, Combinatorial Library Design - QSAR analysis of project data sets and calculation of ADME/Tox relevant properties. Required Qualifications - Ph.D. in medicinal chemistry, theoretical/computational medicinal chemistry, structural biology, bioinformatics, biochemistry or related disciplines - Experience in the above research areas is required - Experience in several molecular modeling programs e.g., Schrodinger, Discovery Studio, Sybyl, MOE, ROCS, is required - Experience in Pipeline Pilot or KNIME is a preferred - Experience in several ADME/Tox prediction programs e.g., TOPKAT, DEREK, METEOR, GastroPlus, is required 3. Computational Scientist (Quantum chemistry and machine learning) PharmCADD We are looking for an expert in quantum chemical calculation, simulation, and machine learning. Research Areas - Quantum chemical calculation of small molecules (ZINC, CheMBL, etc.) - QM/MM approach to small molecule-protein interaction - Machine learning of structure-property relationships in molecular systems, particularly using deep neural networks - Parametrization of small molecules based on QM calculation and Machine Learning Required Qualifications - Ph.D. in computational chemistry or a related field in quantum chemistry and QM/MM and machine learning. - Experience in the above research areas is required - Experience in few QM and QM/MM program e.g., Schrodinger, Gaussian, MOPAC, etc. is required - Preferred in expertise in using Molecular Dynamics packages (Gromacs, NAMD, LAMMPS, AMBER) 4. Computational Scientist (Molecular Dynamics Simulations) PharmCADD We are looking for an expert in MD simulation and enhanced sampling e.g., free energy calculation of protein-ligand complex. Research Areas - Simulating ligand-protein interactions - Enhanced sampling Required Qualifications - Ph.D. theoretical/computational chemistry, structural biology, bioinformatics, biochemistry or related disciplines - Experience and expertise in using Molecular Dynamics packages (Gromacs, NAMD, LAMMPS, AMBER) - Knowledge of machine learning is preferred
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