STEM Engagement

Books

Springer Docking Screens for Drug Discovery. Editor: de Azevedo Jr., Walter Filgueira (Ed.)

Progress in Cell Cycle Research: Volume 2

Projects

SAnDReS-Sigma SAnDReS: Statistical Analysis of Docking Results and Scoring functions

SFSXplorer: Scoring Function Space eXplorer

Taba Taba: A Tool to Analyze the Binding Affinity

Citation

Citation Metrics

Editorships

Frontiers Section Editor (Bioinformatics and Biophysics) for the Current Drug Targets ISSN: 1873-5592

Section Editor (Bioinformatics in Drug Design and Discovery) for the Current Medicinal Chemistry ISSN: 1875-533X

Member of the Editorial Board of the Journal of Molecular Structure ISSN: 0022-2860

Member of the Editorial Board of Molecular Diversity ISSN: 1381-1991 (Print) 1573-501X (Online)

Associate Editor for Exploration of Drug Science

Reviewer Editor for Frontiers in Chemistry ISSN: 2296-2646

Member of the Editorial Board for the Organic and Medicinal Chemistry International Journal ISSN: 2474-7610

Overviews	Pages
Descoberta de Fármacos in Silico Here, we have the course Drug Discovery in Silico (in Portuguese) (Descoberta de Fármacos in Silico) focused on docking simulations. Additionally, this course explores the scoring functions developed for the analysis of docking results and to predict ligand-binding affinity as well as the importance of docking simulations for the initial stages of drug discovery. Authoritative and practical, Drug Discovery in Silico aims to serve those interested in molecular docking simulation and also in the application of these methodologies for drug discovery. Keywords: Protein; ligand; interactions; protein-ligand interactions; drug design; drug discovery; protein crystallography; molecular docking; molecular dynamics; simulations; docking simulations; binding affinity; machine learning; artificial intelligence; scoring function; scoring function space; chemical space; protein space; molegro virtual docker; AutoDock4; AutoDock Vina; GemDock; ArgusLab; NAMD2.
Docking Screens for Drug Discovery Here, we have the course Docking Screens for Drug Design based on homonymous book. This book focuses on recent developments in docking simulations for target proteins with chapters on specific techniques or applications for docking simulations, including the major docking programs. Additionally, the volume explores the scoring functions developed for the analysis of docking results and to predict ligand-binding affinity as well as the importance of docking simulations for the initial stages of drug discovery. Written for the highly successful Methods in Molecular Biology series, this collection presents the kind of detail and key implementation advice to ensure successful results. Authoritative and practical, Docking Screens for Drug Discovery aims to serve those interested in molecular docking simulation and also in the application of these methodologies for drug discovery. Keywords: Protein; ligand; interactions; protein-ligand interactions; drug design; drug discovery; protein crystallography; molecular docking; molecular dynamics; simulations; docking simulations; binding affinity; machine learning; artificial intelligence; scoring function; scoring function space; chemical space; protein space; molegro virtual docker; AutoDock4; AutoDock Vina; GemDock; ArgusLab; NAMD2.

Descoberta de Fármacos in Silico

Here, we have the course Drug Discovery in Silico (in Portuguese) (Descoberta de Fármacos in Silico) focused on docking simulations. Additionally, this course explores the scoring functions developed for the analysis of docking results and to predict ligand-binding affinity as well as the importance of docking simulations for the initial stages of drug discovery. Authoritative and practical, Drug Discovery in Silico aims to serve those interested in molecular docking simulation and also in the application of these methodologies for drug discovery.

Keywords: Protein; ligand; interactions; protein-ligand interactions; drug design; drug discovery; protein crystallography; molecular docking; molecular dynamics; simulations; docking simulations; binding affinity; machine learning; artificial intelligence; scoring function; scoring function space; chemical space; protein space; molegro virtual docker; AutoDock4; AutoDock Vina; GemDock; ArgusLab; NAMD2.

Docking Screens for Drug Discovery

Here, we have the course Docking Screens for Drug Design based on homonymous book. This book focuses on recent developments in docking simulations for target proteins with chapters on specific techniques or applications for docking simulations, including the major docking programs. Additionally, the volume explores the scoring functions developed for the analysis of docking results and to predict ligand-binding affinity as well as the importance of docking simulations for the initial stages of drug discovery. Written for the highly successful Methods in Molecular Biology series, this collection presents the kind of detail and key implementation advice to ensure successful results. Authoritative and practical, Docking Screens for Drug Discovery aims to serve those interested in molecular docking simulation and also in the application of these methodologies for drug discovery.