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Application of the Docking Program SOL for CSAR Benchmark
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Outgoing claims: the papers this work cites, builds on, or argues with.
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Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94
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Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function
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Can the calculation of ligand binding free energies be improved with continuum solvent electrostatics and an ideal‐gas entropy correction?
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AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility
inferredcites →https://doi.org/10.1002/prot.21082openalex-snapshot
Protein–ligand docking: Current status and future challenges
inferredcites →https://doi.org/10.1007/bf00126743openalex-snapshot
The development of a simple empirical scoring function to estimate the binding constant for a protein-ligand complex of known three-dimensional structure
inferredcites →https://doi.org/10.1016/s0006-3495(97)78105-0openalex-snapshot
SIMS: computation of a smooth invariant molecular surface
inferredcites →https://doi.org/10.1021/jp0264477openalex-snapshot
Accurate Transferable Model for Water,n-Octanol, andn-Hexadecane Solvation Free Energies
inferredcites →https://doi.org/10.1021/jp046721sopenalex-snapshot
Surface Generalized Born Method: A Simple, Fast, and Precise Implicit Solvent Model beyond the Coulomb Approximation
inferredcites →https://doi.org/10.1021/jp982533oopenalex-snapshot
Generalized Born Model Based on a Surface Integral Formulation
inferredcites →https://doi.org/10.1038/nrd1549openalex-snapshot
Docking and scoring in virtual screening for drug discovery: methods and applications
inferredcites →https://doi.org/10.1073/pnas.0610494104openalex-snapshot
Ligand configurational entropy and protein binding
inferredcites →https://doi.org/10.1111/j.1582-4934.2008.00665.xopenalex-snapshot
Docking, virtual high throughput screening and in silico fragment‐based drug design
inferredcites →https://doi.org/10.1126/science.6879170openalex-snapshot
Solvent-Accessible Surfaces of Proteins and Nucleic Acids
inferredcites →https://doi.org/10.1201/9781420028775.ch15openalex-snapshot
Protein–Ligand Docking Virtual Screening with GOLD
inferredcites →https://doi.org/10.1201/9781420028775.ch2openalex-snapshot
Addressing the Virtual Screening Challenge
inferredcites →https://doi.org/10.1371/journal.pone.0019969openalex-snapshot
New Synthetic Thrombin Inhibitors: Molecular Design and Experimental Verification
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Search for approaches to improving the calculation accuracy of the protein—ligand binding energy by docking
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Evaluation of the novel algorithm of flexible ligand docking with moveable target-protein atoms
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Accuracy comparison of several common implicit solvent models and their implementations in the context of protein-ligand binding
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Methodological Approach Based on Structural Parameters, Vibrational Frequencies, and MMFF94 Bond Charge Increments for Platinum-Based Compounds
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Evaluation of Docking Target Functions by the Comprehensive Investigation of Protein-Ligand Energy Minima
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Combined Docking with Classical Force Field and Quantum Chemical Semiempirical Method PM7
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Development of the Novel Nsp16 Inhibitors as Potential Anti-SARS-CoV-2 Agents
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Influence of the Method of Hydrogen Atoms Incorporation Into the Target Protein on the Protein-Ligand Binding Energy
inferred← citeshttps://doi.org/10.18097/pbmc20216703259openalex-snapshot
Development of antiviral drugs based on inhibitors of the SARS-COV-2 main protease
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Development of docking programs for Lomonosov supercomputer
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Advances in Docking
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Docking Paradigm in Drug Design
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Blood coagulation in the 21st century: existing knowledge, current strategies for treatment and perspective
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Synthesis, Docking, and In Vitro Anticoagulant Activity Assay of Hybrid Derivatives of Pyrrolo[3,2,1-ij]Quinolin-2(1H)-one as New Inhibitors of Factor Xa and Factor XIa
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