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JOURNAL OF CHEMICAL INFORMATION AND MODELING
Journal
Identifier:
E189453
ISSN:
1549-9596
Overview
Overview
Research Outputs (15)
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A Pipeline to Enhance Ligand Virtual Screening: Integrating Molecular Dynamics and Fingerprints for Ligand and Proteins
Academic Article
Catching Functional Modes and Structural Communication in Dbl Family Rho Guanine Nucleotide Exchange Factors
Academic Article
Computational polypharmacology analysis of the heat shock protein 90 interactome
Academic Article
Enrichment Factor Analyses on G-Protein Coupled Receptors with Known Crystal Structure
Academic Article
Exploration and Comparison of the Geometrical and Physicochemical Properties of an αc Allosteric Pocket in the Structural Kinome
Academic Article
Exploring the binding site of C-terminal Hsp90 inhibitors
Academic Article
FESTA: A Polygon-Based Approach for Extracting Relevant Structures from Free Energy Surfaces Obtained in Molecular Simulations
Academic Article
Homodimerization of neurotensin 1 receptor involves helices 1, 2, and 4: Insights from quaternary structure predictions and dimerization free energy estimations
Academic Article
Identification of Target Associations for Polypharmacology from Analysis of Crystallographic Ligands of the Protein Data Bank
Academic Article
Interconnecting Flexibility, Structural Communication, and Function in RhoGEF Oncoproteins
Academic Article
Markov logic networks for optical chemical structure recognition
Academic Article
Molecular Dynamics and Structural Studies of Zinc Chloroquine Complexes
Academic Article
Physical Chemistry of Chloroquine Permeation through the Cell Membrane with Atomistic Detail
Academic Article
Probing fragment complementation by rigid-body docking: In silico reconstitution of calbindin D9k
Academic Article
Structure and Energetics of PET-Hydrolyzing Enzyme Complexes: A Systematic Comparison from Molecular Dynamics Simulations
Academic Article
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