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IBM Journal of Research and Development
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April 19, 2021
The Pharmit Backend: A Computer Systems Approach to Enabling Interactive Online Drug Discovery
David Ryan Koes
Molecules (Basel, Switzerland)
|
December 10, 2021
Virtual Screening with Gnina 1.0
Jocelyn Sunseri, David Ryan Koes
Nucleic Acids Research
|
April 21, 2016
Pharmit: interactive exploration of chemical space
Jocelyn Sunseri, David Ryan Koes
Arxiv
|
May 15, 2024
Mixed Continuous and Categorical Flow Matching for 3D De Novo Molecule Generation
Ian Dunn, David Ryan Koes
Arxiv
|
May 20, 2024
Accelerating Inference in Molecular Diffusion Models with Latent Representations of Protein Structure
Ian Dunn, David Ryan Koes
Arxiv
|
December 9, 2024
Exploring Discrete Flow Matching for 3D De Novo Molecule Generation
Ian Dunn, David Ryan Koes
Biorxiv : the Preprint Server for Biology
|
May 7, 2024
Structure-Infused Protein Language Models
Daniel Peñaherrera, David Ryan Koes
Bioinformatics (Oxford, England)
|
January 3, 2012
Small-molecule inhibitor starting points learned from protein-protein interaction inhibitor structure
David Ryan Koes, Carlos J Camacho
Journal of Chemical Information and Modeling
|
May 25, 2011
Pharmer: efficient and exact pharmacophore search
David Ryan Koes, Carlos J Camacho
Journal of Computational Chemistry
|
July 23, 2014
Shape-based virtual screening with volumetric aligned molecular shapes
David Ryan Koes, Carlos J Camacho
Page
of 4
Search research articles
Search
Showing results (1-10 of 39) with videos related to
Sort By:
Page
of 4
IBM Journal of Research and Development
|
April 19, 2021
The Pharmit Backend: A Computer Systems Approach to Enabling Interactive Online Drug Discovery
David Ryan Koes
Molecules (Basel, Switzerland)
|
December 10, 2021
Virtual Screening with Gnina 1.0
Jocelyn Sunseri, David Ryan Koes
Nucleic Acids Research
|
April 21, 2016
Pharmit: interactive exploration of chemical space
Jocelyn Sunseri, David Ryan Koes
Arxiv
|
May 15, 2024
Mixed Continuous and Categorical Flow Matching for 3D De Novo Molecule Generation
Ian Dunn, David Ryan Koes
Arxiv
|
May 20, 2024
Accelerating Inference in Molecular Diffusion Models with Latent Representations of Protein Structure
Ian Dunn, David Ryan Koes
Arxiv
|
December 9, 2024
Exploring Discrete Flow Matching for 3D De Novo Molecule Generation
Ian Dunn, David Ryan Koes
Biorxiv : the Preprint Server for Biology
|
May 7, 2024
Structure-Infused Protein Language Models
Daniel Peñaherrera, David Ryan Koes
Bioinformatics (Oxford, England)
|
January 3, 2012
Small-molecule inhibitor starting points learned from protein-protein interaction inhibitor structure
David Ryan Koes, Carlos J Camacho
Journal of Chemical Information and Modeling
|
May 25, 2011
Pharmer: efficient and exact pharmacophore search
David Ryan Koes, Carlos J Camacho
Journal of Computational Chemistry
|
July 23, 2014
Shape-based virtual screening with volumetric aligned molecular shapes
David Ryan Koes, Carlos J Camacho
Page
of 4