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PEARLS: Program for Energetic Analysis of Receptor−Ligand System
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Ab initio models for receptor-ligand interactions in proteins. 4. Model assembly study of the catalytic mechanism of triosephosphate isomerase
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Flexible docking using tabu search and an empirical estimate of binding affinity
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CHARMM : A program for macromolecular energy, minimization, and dynamics calculations
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Atomic solvation parameters applied to molecular dynamics of proteins in solution
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Computational detection of the binding‐site hot spot at the remodeled human growth hormone–receptor interface
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Development and validation of a genetic algorithm for flexible docking 1 1Edited by F. E. Cohen
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Forces and energetics of hapten-antibody dissociation: a biased molecular dynamics simulation study 1 1Edited by B. Honig
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Ligands and biological activities of soluble Fcγ receptors
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The energetics of ligand binding at catecholamine receptors
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Microscopic Kinetics and Energetics Distinguish GABAA Receptor Agonists from Antagonists
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Molecular Dynamics Simulations of the NGF-TrkA Domain 5 Complex and Comparison with Biological Data
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Measurement of protein interaction bioenergetics: Application to structural variants of anti-sCD4 antibody
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CLiBE: a database of computed ligand binding energy for ligand–receptor complexes
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Molecular similarity-based estimation of properties: a comparison of three structure spaces
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Consensus scoring for ligand/protein interactions
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Ligand Binding Affinities from MD Simulations
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Conformational Energetics of Rhodopsin Modulated by Nonlamellar-Forming Lipids
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RNA Molecules That Specifically and Stoichiometrically Bind Aminoglycoside Antibiotics with High Affinities
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Principles of electronegativity Part I. General nature
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A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules
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The Magnesium−Ene Cyclization Stereochemically Directed by an Allylic Oxyanionic Group and Its Application to a Highly Stereoselective Synthesis of (±)-Matatabiether. Allylmagnesium Compounds by Reductive Magnesiation of Allyl Phenyl Sulfides 1
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The PDBbind Database: Methodologies and Updates
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Further development and validation of empirical scoring functions for structure-based binding affinity prediction
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Solvation energy in protein folding and binding
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Inadequacy of Coulomb's friction law for particle assemblies
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Indian court bans quotas that give share of science posts to outcasts
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Antibody and HIV-1 gpl20 recognition of CD4 undermines the concept of mimicry between antibodies and receptors
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Monoglot filing urged for European patents
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Energetics of myo‐inositol hexasulfate binding to human acidic fibroblast growth factor
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A simple physical model for binding energy hot spots in protein–protein complexes
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Docking of hydrophobic ligands with interaction-based matching algorithms.
inferredcites →https://doi.org/10.1093/emboj/19.11.2399openalex-snapshot
Receptor recognition by gp130 cytokines
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Ultraviolet-Induced Cell Death Blocked by a Selenoprotein from a Human Dermatotropic Poxvirus
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Conformational Regulation of Integrin Structure and Function
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Structural Mechanisms of HIV Drug Resistance
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Metabolic Networks: a Signal-Oriented Approach to Cellular Models
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The Linear Interaction Energy Method for Predicting Ligand Binding Free Energies
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