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Structural Basis of Mycobacterial Inhibition by Cyclomarin AThermodynamics and Mechanism of the Interaction of Willardiine Partial Agonists with a Glutamate Receptor: Implications for Drug DevelopmentThermodynamics of protein-ligand interactions as a reference for computational analysis: how to assess accuracy, reliability and relevance of experimental dataLP99: Discovery and Synthesis of the First Selective BRD7/9 Bromodomain InhibitorMechanistic and functional differentiation of tapentadol and tramadolEntropy-enthalpy transduction caused by conformational shifts can obscure the forces driving protein-ligand bindingWhat can we learn from the evolution of protein-ligand interactions to aid the design of new therapeutics?Characterization of Promiscuous Binding of Phosphor Ligands to Breast-Cancer-Gene 1 (BRCA1) C-Terminal (BRCT): Molecular Dynamics, Free Energy, Entropy and Inhibitor DesignLP99: Discovery and Synthesis of the First Selective BRD7/9 Bromodomain InhibitorThe use of thermodynamic and kinetic data in drug discovery: decisive insight or increasing the puzzlement?Data quality in drug discovery: the role of analytical performance in ligand binding assays.Understanding ligand-receptor non-covalent binding kinetics using molecular modeling.Entropy-enthalpy compensation: role and ramifications in biomolecular ligand recognition and design.Isothermal titration calorimetry in nanoliter droplets with subsecond time constants.Thermodynamic Proxies to Compensate for Biases in Drug Discovery Methods.Highly Potent, Chemically Stable Quorum Sensing Agonists for Vibrio Cholerae.Thermodynamic studies for drug design and screening.Ligand-receptor interaction platforms and their applications for drug discovery.Advances in multiparameter optimization methods for de novo drug design.The impact of binding thermodynamics on medicinal chemistry optimizations.Compound Design by Fragment-Linking.A look at ligand binding thermodynamics in drug discovery.Current and emerging opportunities for molecular simulations in structure-based drug design.Intrinsic Thermodynamics and Structures of 2,4- and 3,4-Substituted Fluorinated Benzenesulfonamides Binding to Carbonic Anhydrases.Evaluating the enthalpic contribution to ligand binding using QM calculations: effect of methodology on geometries and interaction energies.The role of ligand efficiency metrics in drug discovery.re-TAMD: exploring interactions between H3 peptide and YEATS domain using enhanced sampling.Aromatic Rings Commonly Used in Medicinal Chemistry: Force Fields Comparison and Interactions With Water Toward the Design of New Chemical Entities.
P2860
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P2860
description
article científic
@ca
article scientifique
@fr
articolo scientifico
@it
artigo científico
@pt
bilimsel makale
@tr
scientific article published on 27 August 2010
@en
vedecký článok
@sk
vetenskaplig artikel
@sv
videnskabelig artikel
@da
vědecký článek
@cs
name
Thermodynamics guided lead discovery and optimization.
@en
Thermodynamics guided lead discovery and optimization.
@nl
type
label
Thermodynamics guided lead discovery and optimization.
@en
Thermodynamics guided lead discovery and optimization.
@nl
prefLabel
Thermodynamics guided lead discovery and optimization.
@en
Thermodynamics guided lead discovery and optimization.
@nl
P1433
P1476
Thermodynamics guided lead discovery and optimization
@en
P2093
György G Ferenczy
György M Keserũ
P304
P356
10.1016/J.DRUDIS.2010.08.013
P577
2010-08-27T00:00:00Z