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Evaluating the stability of pharmacophore features using molecular dynamics simulations
Elsevier | 2016|Keywords: Structure-based pharmacophore modeling -
Molecular Docking and Dynamics Simulation, Receptor‐based Hypothesis: Application to Identify Novel Sirtuin 2 Inhibitors
Wiley | 2012|Keywords: structure‐based pharmacophore -
Structure-based pharmacophore modeling 1. Automated random pharmacophore model generation
Elsevier | 2023|Keywords: Structure-based pharmacophore -
Molecular dynamics-assisted pharmacophore modeling of caspase-3-isatin sulfonamide complex: Recognizing essential intermolecular contacts and features of sulfonamide inhibitor class for caspase-3 binding
Online Contents | 2017|Keywords: Structure-based pharmacophore -
Structure-based and shape-complemented pharmacophore modeling for the discovery of novel checkpoint kinase 1 inhibitors
Online Contents | 2009|Keywords: Structure-based pharmacophore -
Natural compounds as potential Hsp90 inhibitors for breast cancer-Pharmacophore guided molecular modelling studies
Elsevier | 2019|Keywords: Structure-based pharmacophore modelling -
Structure-based pharmacophore modeling 2. Developing a novel framework for structure-based pharmacophore model generation and selection
Elsevier | 2023|Keywords: Structure-based pharmacophore -
Discovery of a novel acetylcholinesterase inhibitor by structure-based virtual screening techniques
Elsevier | 2012|Keywords: Structure-based pharmacophore -
GRP78‐targeted in‐silico virtual screening of novel anticancer agents
Wiley | 2018|Keywords: structure‐based pharmacophore -
Molecular dynamics-assisted pharmacophore modeling of caspase-3-isatin sulfonamide complex: Recognizing essential intermolecular contacts and features of sulfonamide inhibitor class for caspase-3 binding
Elsevier | 2017|Keywords: Structure-based pharmacophore -
Molecular Dynamic Simulation and Receptor-based Pharmacophore Modeling on Human Renin for Discovery of Novel Inhibitors
Free accessBASE | 2013|Keywords: Structure-based pharmacophore modeling -
Computer-aided discovery of novel non-peptide inhibitors against amyloid-beta (Aβ) peptide aggregation for treating Alzheimer's disease
Taylor & Francis Verlag | 2015|Keywords: structure-based pharmacophore -
New leads of metallo-β-lactamase inhibitors from structure-based pharmacophore design
Elsevier | 2005|Keywords: Structure-based pharmacophore -
Estrogen receptor potentially stable conformations from molecular dynamics as a structure-based pharmacophore model for mapping, screening, and identifying ligands—a new paradigm shift in pharmacophore screening
Taylor & Francis Verlag | 2023|Keywords: structure-based pharmacophore -
From Activity Cliffs to Target‐Specific Scoring Models and Pharmacophore Hypotheses
Wiley | 2011|Keywords: structure‐based pharmacophore elucidation -
Potential inhibitors of methionine aminopeptidase type II identified via structure-based pharmacophore modeling
Online Contents | 2021|Keywords: Structure-based pharmacophore modeling -
Multi-level structure-based pharmacophore modelling of caspase-3-non-peptide complexes: Extracting essential pharmacophore features and its application to virtual screening
Elsevier | 2016|Keywords: Structure-based pharmacophore models -
Multi-stage structure-based virtual screening approach towards identification of potential SARS-CoV-2 NSP13 helicase inhibitors
Free accessTaylor & Francis Verlag | 2022|Keywords: structure-based pharmacophore -
Discovering benzamide derivatives as glycogen phosphorylase inhibitors and their binding site at the enzyme
Elsevier | 2007|Keywords: Structure-based pharmacophore -
Structure-based and shape-complemented pharmacophore modeling for the discovery of novel checkpoint kinase 1 inhibitors
Online Contents | 2009|Keywords: Structure-based pharmacophore
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