CBIRTFeatureDock: Revolutionizing Protein-Ligand Docking with Transformer-Based Local Environment…Molecular docking, which predicts the binding configurations between ligands and proteins, is an essential step in the drug discovery…Aug 3
Johnny TamAlphaFold2 Installation on Windows 11 + Ubuntu 20.02 + WSL2Disclaimer: not a step-by-step guide but a quick memo on how to troubleshoot your installation of AlphaFold2 on Windows 11 + Ubuntu 20.02 +…Mar 4, 2022
Nexco AnalyticsThe Future of Molecular Graphics and Modeling is Immersive and With a Natural Human-Computer…When looking at molecular structures, and especially when trying to explore their conformations and interactions interactively, computer…Jun 12Jun 12
SBGridinSBGrid Community NewsFuture directions in drug development against antibiotic resistant bacteriaSBGrid member Daniel Kahne investigates how Zosurabalpin, along with two other chemical compounds, interact with LptB₂FGC.Jul 30Jul 30
CBIRTProteinDPO: A Novel Technique for Aligning Generative Protein Models with Experimental FitnessLives would not be made perfect without proteins since they are vital macromolecules that provide stability in their function. The study…May 27May 27
CBIRTFeatureDock: Revolutionizing Protein-Ligand Docking with Transformer-Based Local Environment…Molecular docking, which predicts the binding configurations between ligands and proteins, is an essential step in the drug discovery…Aug 3
Johnny TamAlphaFold2 Installation on Windows 11 + Ubuntu 20.02 + WSL2Disclaimer: not a step-by-step guide but a quick memo on how to troubleshoot your installation of AlphaFold2 on Windows 11 + Ubuntu 20.02 +…Mar 4, 2022
Nexco AnalyticsThe Future of Molecular Graphics and Modeling is Immersive and With a Natural Human-Computer…When looking at molecular structures, and especially when trying to explore their conformations and interactions interactively, computer…Jun 12
SBGridinSBGrid Community NewsFuture directions in drug development against antibiotic resistant bacteriaSBGrid member Daniel Kahne investigates how Zosurabalpin, along with two other chemical compounds, interact with LptB₂FGC.Jul 30
CBIRTProteinDPO: A Novel Technique for Aligning Generative Protein Models with Experimental FitnessLives would not be made perfect without proteins since they are vital macromolecules that provide stability in their function. The study…May 27
Aviv KormaninStanford CS224W GraphML TutorialsPrediction of Protein Movement Upon Ligand Binding Using Equivariant Graph Neural NetworksHarnessing Graphein to transform protein structures into PyTorch-Geometric-ready residue-level spatial graphs and deploying equivariant…May 14, 2023
Nexco AnalyticsAlphaFold 3 Advances the Future AI Technologies for Pharma and BiotechBringing you the highlights on AlphaFold 3, we discuss how despite its restricted use for non-commercial applications, it augurs a bright…May 10
Gerard MartínezinPlayMoleculeBuilding and running a molecular dynamics (MD) simulation of a protein-ligand system on the…In this article we will look at how to prepare, parameterize, build and run a molecular dynamics (MD) simulation of a protein-ligand…Nov 4, 2019
