Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Filters

David R Koes

Showing results (1-10 of 30) with videos related to

Pageof 3
Sort By:
Journal of Chemical Information and Modeling|February 13, 2020
libmolgrid: Graphics Processing Unit Accelerated Molecular Gridding for Deep Learning ApplicationsJocelyn Sunseri, David R Koes
BMC Biology|December 30, 2024
PharmRL: pharmacophore elucidation with deep geometric reinforcement learningRishal Aggarwal, David R Koes
Digital Discovery|April 27, 2026
FlowMol3: flow matching for 3D <i>de novo</i> small-molecule generationIan Dunn, David R Koes
Arxiv|September 2, 2025
FlowMol3: Flow Matching for 3D De Novo Small-Molecule GenerationIan Dunn, David R Koes
Research Square|October 14, 2024
PharmRL: Pharmacophore elucidation with Deep Geometric Reinforcement LearningRishal Aggarwal, David R Koes
Journal of Chemical Information and Modeling|July 27, 2021
Correction to "SolTranNet-A Machine Learning Tool for Fast Aqueous Solubility Prediction"Paul G Francoeur, David R Koes
ACS Omega|November 16, 2023
Expanding Training Data for Structure-Based Receptor-Ligand Binding Affinity Regression through Imputation of Missing LabelsPaul G Francoeur, David R Koes
Computational & Theoretical Chemistry|November 8, 2017
Error assessment in molecular dynamics trajectories using computed NMR chemical shiftsDavid R Koes, John K Vries
Journal of Chemical Information and Modeling|May 26, 2021
SolTranNet-A Machine Learning Tool for Fast Aqueous Solubility PredictionPaul G Francoeur, David R Koes
Proteins|July 9, 2017
Evaluating amber force fields using computed NMR chemical shiftsDavid R Koes, John K Vries
Pageof 3

Showing results (1-10 of 30) with videos related to

Sort By:
Pageof 3
Journal of Chemical Information and Modeling|February 13, 2020
libmolgrid: Graphics Processing Unit Accelerated Molecular Gridding for Deep Learning ApplicationsJocelyn Sunseri, David R Koes
BMC Biology|December 30, 2024
PharmRL: pharmacophore elucidation with deep geometric reinforcement learningRishal Aggarwal, David R Koes
Digital Discovery|April 27, 2026
FlowMol3: flow matching for 3D <i>de novo</i> small-molecule generationIan Dunn, David R Koes
Arxiv|September 2, 2025
FlowMol3: Flow Matching for 3D De Novo Small-Molecule GenerationIan Dunn, David R Koes
Research Square|October 14, 2024
PharmRL: Pharmacophore elucidation with Deep Geometric Reinforcement LearningRishal Aggarwal, David R Koes
Journal of Chemical Information and Modeling|July 27, 2021
Correction to "SolTranNet-A Machine Learning Tool for Fast Aqueous Solubility Prediction"Paul G Francoeur, David R Koes
ACS Omega|November 16, 2023
Expanding Training Data for Structure-Based Receptor-Ligand Binding Affinity Regression through Imputation of Missing LabelsPaul G Francoeur, David R Koes
Computational & Theoretical Chemistry|November 8, 2017
Error assessment in molecular dynamics trajectories using computed NMR chemical shiftsDavid R Koes, John K Vries
Journal of Chemical Information and Modeling|May 26, 2021
SolTranNet-A Machine Learning Tool for Fast Aqueous Solubility PredictionPaul G Francoeur, David R Koes
Proteins|July 9, 2017
Evaluating amber force fields using computed NMR chemical shiftsDavid R Koes, John K Vries
Pageof 3