Diels–Alder 2D Potential Energy Surfaces
Rowan
Diels–Alder 2D Potential Energy Surfaces
11:23
Running Boltz-1 and Chai-1 through Rowan's Web Interface
Rowan
Running Boltz-1 and Chai-1 through Rowan's Web Interface
5:16
How Metabolism Affects Blood–Brain-Barrier (BBB) Permeability
Rowan
How Metabolism Affects Blood–Brain-Barrier (BBB) Permeability
7:18
Physics-Based Computation for Predicting Blood–Brain-Barrier Permeability
Rowan
Physics-Based Computation for Predicting Blood–Brain-Barrier Permeability
7:10
Introducing Egret-1: Open-Source Neural Networks for Bioorganic Simulation
Rowan
Introducing Egret-1: Open-Source Neural Networks for Bioorganic Simulation
1:23
Intro to Rowan (Feb 2025)
Rowan
Intro to Rowan (Feb 2025)
7:10
Computing Orbitals and Electron Density Isosurfaces with Rowan
Rowan
Computing Orbitals and Electron Density Isosurfaces with Rowan
13:17
Finding a Transition State in Rowan
Rowan
Finding a Transition State in Rowan
13:21
Generating Molecular Descriptors and Running PCA in Rowan
Rowan
Generating Molecular Descriptors and Running PCA in Rowan
3:49
Predicting Spin States with Rowan
Rowan
Predicting Spin States with Rowan
2:41
Predicting Tautomerization with Rowan
Rowan
Predicting Tautomerization with Rowan
6:35
Computing Bond-Dissociation Energies in Rowan
Rowan
Computing Bond-Dissociation Energies in Rowan
1:50
Predicting the pKa of Small Molecules on Rowan
Rowan
Predicting the pKa of Small Molecules on Rowan
9:03
Running Torsional Scans in Rowan
Rowan
Running Torsional Scans in Rowan
7:10
Predicting Reduction and Oxidation Potentials with Rowan
Rowan
Predicting Reduction and Oxidation Potentials with Rowan
5:40
Running Rowan's Multistage Optimization Workflow
Rowan
Running Rowan's Multistage Optimization Workflow
5:17
Global Electrophilicity Prediction with Rowan
Rowan
Global Electrophilicity Prediction with Rowan
5:07
Running Rowan's Fukui Index Calculation Workflow
Rowan
Running Rowan's Fukui Index Calculation Workflow
5:13
Conformational Searching on Rowan
Rowan
Conformational Searching on Rowan
5:34
Running a Geometry Optimization and Frequencies Calculation on Rowan
Rowan
Running a Geometry Optimization and Frequencies Calculation on Rowan
3:21
Running Rowan's ADME-Tox Prediction Workflow
Rowan
Running Rowan's ADME-Tox Prediction Workflow
8:41