View in ORKG Publication date
March 2023
DOIAbstract
ResGen: Learning the Interaction Patterns through Multiscale Modeling and SE(3)-Framework for 3D-Pocket Molecular Generation
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ResGen: Learning the Interaction Patterns through Multiscale Modeling and SE(3)-Framework for 3D-Pocket Molecular Generation
This dataset contains additional material related to the article: "MiMiC: A Novel Framework for Mult...
Biomolecular simulations play a key role in the study of complex biological processes at microscopic...
Over the past few decades nanoscience and molecular biology has shown a strong growth worldwide in m...
Machine learning (ML) interatomic potentials (ML-IAPs) are generated for alkane and polyene hydrocar...
Learning protein–DNA interaction landscapes by integrating experimental data through computational m...
We are investigating the rules that govern protein-DNA interactions, using a sta-tistical mechanics ...
From AlexNet to Inception, autoencoders to diffusion models, the development of novel and powerful d...
Accurate modelling of chemical and physical interactions is crucial for obtaining thermodynamic and ...
Coarse graining (CG) enables the investigation of molecular properties for larger systems and at lon...
This dataset contains molecular dynamics (MD) trajectories used for preparation of the following man...
Tricaproin (Glycerol trihexanoate) is an example of a triglyceride molecule with very short alkyl ta...
Coarse-grained molecular dynamics simulations with Martini 3 with varying rescaling of protein-water...
The RPI team is developing a suite of hierarchical multiscale models and scale bridging procedures a...
Coarse-grained molecular dynamics simulations from "Recalibration of protein interactions in Martini...
Data for manuscript, entitled: "Small-data-based Machine Learning Interatomic Potentials for Gr...
This dataset contains additional material related to the article: "MiMiC: A Novel Framework for Mult...
Biomolecular simulations play a key role in the study of complex biological processes at microscopic...
Over the past few decades nanoscience and molecular biology has shown a strong growth worldwide in m...
Machine learning (ML) interatomic potentials (ML-IAPs) are generated for alkane and polyene hydrocar...
Learning protein–DNA interaction landscapes by integrating experimental data through computational m...
We are investigating the rules that govern protein-DNA interactions, using a sta-tistical mechanics ...
From AlexNet to Inception, autoencoders to diffusion models, the development of novel and powerful d...
Accurate modelling of chemical and physical interactions is crucial for obtaining thermodynamic and ...
Coarse graining (CG) enables the investigation of molecular properties for larger systems and at lon...
This dataset contains molecular dynamics (MD) trajectories used for preparation of the following man...
Tricaproin (Glycerol trihexanoate) is an example of a triglyceride molecule with very short alkyl ta...
Coarse-grained molecular dynamics simulations with Martini 3 with varying rescaling of protein-water...
The RPI team is developing a suite of hierarchical multiscale models and scale bridging procedures a...
Coarse-grained molecular dynamics simulations from "Recalibration of protein interactions in Martini...
Data for manuscript, entitled: "Small-data-based Machine Learning Interatomic Potentials for Gr...
This dataset contains additional material related to the article: "MiMiC: A Novel Framework for Mult...
Biomolecular simulations play a key role in the study of complex biological processes at microscopic...
Over the past few decades nanoscience and molecular biology has shown a strong growth worldwide in m...