about
Using the fragment molecular orbital method to investigate agonist-orexin-2 receptor interactionsPredictions of Ligand Selectivity from Absolute Binding Free Energy CalculationsBeyond Membrane Protein Structure: Drug Discovery, Dynamics and Difficulties.Accurate calculation of the absolute free energy of binding for drug molecules.Application of an Integrated GPCR SAR-Modeling Platform To Explain the Activation Selectivity of Human 5-HT2C over 5-HT2B.Selective targeting of the BRG/PB1 bromodomains impairs embryonic and trophoblast stem cell maintenance.Statistical Analysis on the Performance of Molecular Mechanics Poisson-Boltzmann Surface Area versus Absolute Binding Free Energy Calculations: Bromodomains as a Case Study.Two- and three-dimensional rings in drugs.Fragment Molecular Orbital Method Applied to Lead Optimization of Novel Interleukin-2 Inducible T-Cell Kinase (ITK) Inhibitors.The Fragment Molecular Orbital Method Reveals New Insight into the Chemical Nature of GPCR-Ligand Interactions.Accurate Estimation of Ligand Binding Affinity Changes upon Protein MutationA molecular mechanism for transthyretin amyloidogenesisCharacterizing Interhelical Interactions of G-Protein Coupled Receptors with the Fragment Molecular Orbital MethodThe SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculationsPredicting Kinase Inhibitor Resistance: Physics-Based and Data-Driven Approaches
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P50
description
researcher ORCID ID = 0000-0003-0019-8806
@en
wetenschapper
@nl
name
Matteo Aldeghi
@ast
Matteo Aldeghi
@en
Matteo Aldeghi
@es
Matteo Aldeghi
@nl
type
label
Matteo Aldeghi
@ast
Matteo Aldeghi
@en
Matteo Aldeghi
@es
Matteo Aldeghi
@nl
prefLabel
Matteo Aldeghi
@ast
Matteo Aldeghi
@en
Matteo Aldeghi
@es
Matteo Aldeghi
@nl
P106
P31
P496
0000-0003-0019-8806