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Docking (molecular)
Computer-Aided Drug Design: a Practical Guide
Small Molecule and Protein Docking Introduction
Structure Based Pharmacophore Modeling, Virtual Screening
BUDE: GPU-Accelerated Molecular Docking for Drug Discovery
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
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
15 Structure Prediction of Protein Complexes
Molecular Docking: Shifting Paradigms in Drug Discovery
Molecular Simulations of G Protein-Coupled Receptors
Multiscale Molecular Modeling in G Protein-Coupled Receptor (GPCR)-Ligand Studies
Drug Repurposing on G Protein-Coupled Receptors Using a Computational Profiling Approach
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]
Molecular Docking and Structure-Based Drug Design Strategies
Autodock Vina 1.2.0: New Docking Methods, Expanded Force Field, And
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
An Introduction to Molecular Docking
An Introduction to Biomolecular Simulations and Docking
Uncovering Bioactive Compounds and Potential Mechanisms of Jieduan-Niwan Formula Against Liver Failure
Ligand Docking
Locating Binding Poses in Protein-Ligand Systems Using Reconnaissance Metadynamics
Molecular Docking Study of Naturally- Occurring Compounds As Inhibitors of N-Myristoyl Transferase Towards Antifungal Agents Discovery
A Case Study of CDOCKER—A Charmm-Based MD Docking Algorithm
Molecular Simulations with Biovia Discovery Studio® Datasheet
Molecular Docking: a Structure-Based Drug Designing Approach
Protein Interaction of Tasa(28-261)–Tapa(33-253) (Which Is a Decisive
Identification of a Druggable Binding Pocket in the Spike Protein Reveals a Key Site for Existing Drugs Potentially Capable of Combating Covid-19 Infectivity Elliot D
What the ROSETTA Protein Modeling Suite Can Do for You Kristian W
Molecular Docking Program Selection for Feruloyl Esterases
Two-Dimensional Polyacrylamide Gel Electrophoresis for Metalloprotein Analysis Based on Differential Chemical Structure Recognit
Force Field Optimization Guided by Small Molecule Crystal Lattice Data
Docking and Scoring in Virtual Screening for Drug Discovery: Methods and Applications
A Molecular Docking Approach to Evaluate the Pharmacological Properties of Natural and Synthetic Treatment Candidates for Use Against Hypertension
Assessing Molecular Docking Tools to Guide Targeted Drug Discovery of CD38 Inhibitors
Original Article Docking and Molecular Dynamics: Simulation of the Inhibition of H5N1 Influenza Virus (Anhui 2005) Neuraminidase (NA) by Chlorogenic Acid (CHA)
“Docking” and “Molecular Dynamics Simulations”
Autonomous Molecule Generation Using Reinforcement Learning and Docking to Develop Potential Novel Inhibitors Woosung Jeon & Dongsup Kim*
Molecular Docking and Molecular Dynamics (MD) Simulation of Human Anti-Complement Factor H (CFH) Antibody Ab42 and CFH Polypeptide
Structural Studies of G Protein Coupled Receptors by Using Molecular Dynamics Simulation and Docking Studies
Pushing the Accuracy Limit of Shape Complementarity for Protein-Protein Docking Yumeng Yan and Sheng-You Huang*