Ajay Jain Email and Phone Number
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The BioPharmics Division focuses on computational approaches to drug discovery. The Surflex Platform consists of five modules: Tools (ForceGen), Docking (Surflex-Dock), Similarity (eSim), Affinity (QuanSA), and xGen (real-space fitting of ligands into X-ray density). I have worked in applied computer science in many domains, beginning in the defense industry (target detection and recognition), continuing in speech and language processing, and ultimately leading to the bulk of my post-graduate career in computational chemistry and biology.Specialties: Machine learning, drug discovery, bioinformatics, computational chemistry, pharmacology
Optibrium
View- Website:
- optibrium.com
- Employees:
- 30
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Vice President Of Research, Biopharmics DivisionOptibrium Aug 2023 - PresentSan Francisco Bay AreaBioPharmics LLC is now the BioPharmics Division within Optibrium. We have leading solutions in the areas of 2D to 3D ligand conversion and conformer generation (FGen3D and ForceGen), molecular docking (Surflex-Dock), molecular similarity (eSim), binding affinity prediction (QuanSA), and real-space modeling of ligand ensembles in X-ray density maps (xGen). All methods within the Surflex platform couple physical realism in modeling protein-ligand interactions with algorithms for rapid optimization of conformation and alignment of small molecules.
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Professor EmeritusUniversity Of California, San Francisco Aug 2021 - Present -
ProfessorUniversity Of California, San Francisco Jul 1999 - Jul 2021From 1999-2021, I pursued research in computational chemistry and computational biology at UCSF. I began as Associate Adjunct Professor in 1999, with dual roles in administration and research. I transitioned to a purely academic role as Associate Professor in 2002. In 2007, I was promoted to Professor, with appointments in Bioengineering and Therapeutic Sciences and the Helen Diller Family Comprehensive Cancer Center.
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Founder And CeoBiopharmics Llc Jan 1998 - Aug 2023Sonoma County, California, United StatesBioPharmics LLC was founded in 1998 to develop algorithms and software for computational drug design. It was acquired by Optibrium Ltd. in August 2023 to form the BioPharmics Division within Optibrium. We have leading solutions in the areas of 2D to 3D ligand conversion and conformer generation (FGen3D and ForceGen), molecular docking (Surflex-Dock), molecular similarity (eSim), binding affinity prediction (QuanSA), and real-space modeling of ligand ensembles in X-ray density maps (xGen). All methods within the Surflex platform couple physical realism in modeling protein-ligand interactions with algorithms for rapid optimization of conformation and alignment of small molecules. -
Director Of Applied ComputingIconix Pharmaceuticals Feb 1998 - Jul 1999At Iconix, I began developing computational approaches that addressed problems in biological target identification in addition to continuing work in computational drug design with colleagues at our sister company Microcide.
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Senior Scientist And Group LeaderMetaxen 1996 - 1997Within my computational group at MetaXen, we generalized the notion of molecular surface computation toward application in predicting properties of molecules relevant to their in vivo pharmacological profiles.
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Senior Scientist And Group LeaderArris Pharmaceuticals 1992 - 1996I was one of the early computer science folks at Arris. We developed novel algorithms for modeling molecular surfaces in a way that was applicable for rational drug design.
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Graduate StudentCarnegie Mellon University 1986 - 1991My dissertation work involved developing a novel machine learning technique for incremental construction of modular neural networks. The application domain was in understanding spoken language as part of an automated machine translation system.
Ajay Jain Skills
Ajay Jain Education Details
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Computer Science
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Computer Science -
Biochemistry
Frequently Asked Questions about Ajay Jain
What company does Ajay Jain work for?
Ajay Jain works for Optibrium
What is Ajay Jain's role at the current company?
Ajay Jain's current role is Vice President of Research, BioPharmics Division, Optibrium.
What is Ajay Jain's email address?
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What schools did Ajay Jain attend?
Ajay Jain attended Carnegie Mellon University, University Of Minnesota, University Of Minnesota.
What skills is Ajay Jain known for?
Ajay Jain has skills like Complex Algorithm Design And Implementation, Data Analysis, Computational Biology, Bioinformatics, Machine Learning, Drug Discovery, Pharmacology, Genomics, Computational Chemistry, Biochemistry, Lifesciences, Scientific Computing.
Who are Ajay Jain's colleagues?
Ajay Jain's colleagues are Tomáš Chrien, Katie Barnwell, James Chisholm, Alessia Centi, Michelle Harrison, Kylee Miller, Rae Lawrence.
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