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Molecular Dynamics Simulation, Free Energy Calculation and Structure-Based 3D-QSAR Studies of B-RAF Kinase Inhibitors
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Outgoing claims: the papers this work cites, builds on, or argues with.
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Theory and applications of the generalized born solvation model in macromolecular simulations
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Partial least squares analysis with cross‐validation for the two‐class problem: A Monte Carlo study
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A point‐charge force field for molecular mechanics simulations of proteins based on condensed‐phase quantum mechanical calculations
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Development and testing of a general amber force field
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The Amber biomolecular simulation programs
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Distinguish protein decoys by Using a scoring function based on a new AMBER force field, short molecular dynamics simulations, and the generalized born solvent model
inferredcites →https://doi.org/10.1002/qsar.19880070105openalex-snapshot
Crossvalidation, Bootstrapping, and Partial Least Squares Compared with Multiple Regression in Conventional QSAR Studies
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Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes
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Raf kinases: Function, regulation and role in human cancer
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3D-QSAR studies on the inhibitors of AP-1 and NF-κB mediated transcriptional activation
inferredcites →https://doi.org/10.1016/j.jmb.2007.12.054openalex-snapshot
Characterization of Domain–Peptide Interaction Interface: A Case Study on the Amphiphysin-1 SH3 Domain
inferredcites →https://doi.org/10.1016/j.jmgm.2008.03.003openalex-snapshot
3D-QSAR and molecular docking studies of selective agonists for the thyroid hormone receptor β
inferredcites →https://doi.org/10.1016/j.jmgm.2009.12.005openalex-snapshot
The phosphorylation specificity of B-RAFWT, B-RAFD594V, B-RAFV600E and B-RAFK601E kinases: An in silico study
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Insights into Protein–Protein Binding by Binding Free Energy Calculation and Free Energy Decomposition for the Ras–Raf and Ras–RalGDS Complexes
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Computational Study on the Interaction of N1 Substituted Pyrazole Derivatives with B-Raf Kinase: An Unusual Water Wire Hydrogen-Bond Network and Novel Interactions at the Entrance of the Active Site
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MM-GB/SA Rescoring of Docking Poses in Structure-Based Lead Optimization
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A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: the RESP model
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Molecular Similarity Indices in a Comparative Analysis (CoMSIA) of Drug Molecules to Correlate and Predict Their Biological Activity
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Accurate Prediction of the Relative Potencies of Members of a Series of Kinase Inhibitors Using Molecular Docking and MM-GBSA Scoring
inferredcites →https://doi.org/10.1021/jm070776bopenalex-snapshot
Novel Inhibitors of the v-raf Murine Sarcoma Viral Oncogene Homologue B1 (BRAF) Based on a 2,6-Disubstituted Pyrazine Scaffold
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Novel Hinge Binder Improves Activity and Pharmacokinetic Properties of BRAF Inhibitors
inferredcites →https://doi.org/10.1021/jm800539gopenalex-snapshot
Identification of BRAF Inhibitors through In Silico Screening
inferredcites →https://doi.org/10.1021/jm801050kopenalex-snapshot
Design and Synthesis of Orally Bioavailable Benzimidazoles as Raf Kinase Inhibitors
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Pyridoimidazolones as Novel Potent Inhibitors of v-Raf Murine Sarcoma Viral Oncogene Homologue B1 (BRAF)
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Novel Potent BRAF Inhibitors: Toward 1 nM Compounds through Optimization of the Central Phenyl Ring
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Development of Novel, Highly Potent Inhibitors of V-RAF Murine Sarcoma Viral Oncogene Homologue B1 (BRAF): Increasing Cellular Potency through Optimization of a Distal Heteroaromatic Group
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Selective Inhibitors of the Mutant B-Raf Pathway: Discovery of a Potent and Orally Bioavailable Aminoisoquinoline
inferredcites →https://doi.org/10.1021/jm901509aopenalex-snapshot
BRAF Inhibitors Based on an Imidazo[4,5]pyridin-2-one Scaffold and a Meta Substituted Middle Ring
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Molecular Basis of Inactive B-RAFWT and B-RAFV600E Ligand Inhibition, Selectivity and Conformational Stability: An in Silico Study
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Mutations of the BRAF gene in human cancer
inferredcites →https://doi.org/10.1038/sj.onc.1207785openalex-snapshot
B-RAF is a therapeutic target in melanoma
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Comparison of simple potential functions for simulating liquid water
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Characterization of Domain-Peptide Interaction Interface
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Cross-Validatory Estimation of the Number of Components in Factor and Principal Components Models
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V599EB-RAF is an Oncogene in Melanocytes
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Is B-Raf a Good Therapeutic Target for Melanoma and Other Malignancies?
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Somatic BRAF-V600E Mutations in Familial Colorectal Cancer
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BRAF Silencing by Short Hairpin RNA or Chemical Blockade by PLX4032 Leads to Different Responses in Melanoma and Thyroid Carcinoma Cells
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Algorithmic Stability and Sanity-Check Bounds for Leave-One-Out Cross-Validation
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An in silico study of the molecular basis of B-RAF activation and conformational stability
inferredcites →https://doi.org/10.2174/092986710791111242openalex-snapshot
Recent Advances in the Research and Development of B-Raf Inhibitors
inferredcites →https://doi.org/10.2174/156802606777812077openalex-snapshot
Recent Advances in the Research and Development of RAF Kinase Inhibitors
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Incoming claims: where this work appears in other papers’ reference lists and arguments.
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