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AIScore — Chemically Diverse Empirical Scoring Function Employing Quantum Chemical Binding Energies of Hydrogen-Bonded Complexes
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Merck molecular force field. II. MMFF94 van der Waals and electrostatic parameters for intermolecular interactions
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Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function
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BLEEP?potential of mean force describing protein-ligand interactions: I. Generating potential
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Evaluation of the FLEXX incremental construction algorithm for protein-ligand docking
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Approaches to the Description and Prediction of the Binding Affinity of Small-Molecule Ligands to Macromolecular Receptors
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A structural and thermodynamic escape mechanism from a drug resistant mutation of the HIV‐1 protease
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The Use of Composite Crystal-field Environments in Molecular Recognition and the de Novo Design of Protein Ligands
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A Fast Flexible Docking Method using an Incremental Construction Algorithm
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Development and validation of a genetic algorithm for flexible docking 1 1Edited by F. E. Cohen
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Glide: A New Approach for Rapid, Accurate Docking and Scoring. 1. Method and Assessment of Docking Accuracy
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The PDBbind Database: Methodologies and Updates
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DOCK 4.0: Search strategies for automated molecular docking of flexible molecule databases
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Incoming claims: where this work appears in other papers’ reference lists and arguments.
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ChemInform Abstract: AIScore — Chemically Diverse Empirical Scoring Function Employing Quantum Chemical Binding Energies of Hydrogen‐Bonded Complexes.
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