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Docking (molecular)

  • Computer-Aided Drug Design: a Practical Guide

    Computer-Aided Drug Design: a Practical Guide

  • Small Molecule and Protein Docking Introduction

    Small Molecule and Protein Docking Introduction

  • Structure Based Pharmacophore Modeling, Virtual Screening

    Structure Based Pharmacophore Modeling, Virtual Screening

  • BUDE: GPU-Accelerated Molecular Docking for Drug Discovery

    BUDE: GPU-Accelerated Molecular Docking for Drug Discovery

  • Homology Modeling and Molecular Docking of Antagonists to Class B G

    Homology Modeling and Molecular Docking of Antagonists to Class B G

  • NEURAL CREST in DEVELOPMENT and REPAIR NEURAL CREST in DEVELOPMENTNEURAL and REPAIR Jorge Aquino Benjamín Jorge Benjamín Aquino

    NEURAL CREST in DEVELOPMENT and REPAIR NEURAL CREST in DEVELOPMENTNEURAL and REPAIR Jorge Aquino Benjamín Jorge Benjamín Aquino

  • Combining Molecular Dynamics and Docking Simulations to Develop Targeted Protocols for Performing Optimized Virtual Screening Campaigns on the Htrpm8 Channel

    Combining Molecular Dynamics and Docking Simulations to Develop Targeted Protocols for Performing Optimized Virtual Screening Campaigns on the Htrpm8 Channel

  • Intuitive, Reproducible High-Throughput Molecular Dynamics in Galaxy: a Tutorial

    Intuitive, Reproducible High-Throughput Molecular Dynamics in Galaxy: a Tutorial

  • 15 Structure Prediction of Protein Complexes

    15 Structure Prediction of Protein Complexes

  • Molecular Docking: Shifting Paradigms in Drug Discovery

    Molecular Docking: Shifting Paradigms in Drug Discovery

  • Molecular Simulations of G Protein-Coupled Receptors

    Molecular Simulations of G Protein-Coupled Receptors

  • Multiscale Molecular Modeling in G Protein-Coupled Receptor (GPCR)-Ligand Studies

    Multiscale Molecular Modeling in G Protein-Coupled Receptor (GPCR)-Ligand Studies

  • Drug Repurposing on G Protein-Coupled Receptors Using a Computational Profiling Approach

    Drug Repurposing on G Protein-Coupled Receptors Using a Computational Profiling Approach

  • Protein–Protein Docking by Fast Generalized Fourier Transforms on 5D Rotational Manifolds

    Protein–Protein Docking by Fast Generalized Fourier Transforms on 5D Rotational Manifolds

  • Graph-Convolution Neural Network-Based Flexible Docking Utilizing Coarse-Grained Distance Matrix Arxiv:2008.12027V1 [Q-Bio.BM]

    Graph-Convolution Neural Network-Based Flexible Docking Utilizing Coarse-Grained Distance Matrix Arxiv:2008.12027V1 [Q-Bio.BM]

  • Molecular Docking and Structure-Based Drug Design Strategies

    Molecular Docking and Structure-Based Drug Design Strategies

  • Autodock Vina 1.2.0: New Docking Methods, Expanded Force Field, And

    Autodock Vina 1.2.0: New Docking Methods, Expanded Force Field, And

  • Protein-Ligand Docking Methods

    Protein-Ligand Docking Methods

Top View
  • Study of a Highly Accurate and Fast Protein-Ligand Docking Algorithm Based on Molecular Dynamics
  • Methodological Advances for Drug Discovery and Protein Engineering
  • Identification of a Novel Inhibitor of SARS-Cov-2 3CL-PRO Through
  • In Silico Docking, Molecular Dynamics and Binding Energy Insights Into the Bolinaquinone-Clathrin Terminal Domain Binding Site
  • Combination of Consensus and Ensemble Docking Strategies for The
  • Molecular Insights Into the Interaction of RONS and Thieno[3,2-C]Pyran Analogs with SIRT6/COX-2: a Molecular Dynamics Study
  • 1 Introduction
  • Manual-2016.Pdf
  • Advances to Tackle Backbone Flexibility in Protein Docking
  • Molecular Docking : Current Advances and Challenges
  • Molecular Docking and Molecular Dynamics Simulation Studies of Quinoline-3-Carboxamide Derivatives with DDR Kinases–Selectivity Studies Towards ATM Kinase
  • Molecular Docking
  • G Protein-Coupled Receptors As Targets for Drug Design
  • Informing Mechanistic Toxicology with Computational Molecular Models
  • Surfing the Protein-Protein Interaction Surface Using Docking Methods: Application to the Design of PPI Inhibitors
  • Ligand Docking Methods to Recognize Allosteric Inhibitors for G-Protein Coupled Receptors
  • Protein-Protein and Peptide-Protein Docking and Refinement Using ATTRACT in CAPRI Christina Schindler, Isaure Chauvot De Beauchêne, Sjoerd De Vries, Martin Zacharias
  • Advances in Protein Chemistry Edited by Ghulam Md Ashraf Ishfaq Ahmed Sheikh Editors


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