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The cost of conformational order: entropy changes in molecular associations
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Identification of the bioactive conformation for mucin epitope peptides
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Association Entropy in Adsorption Processes
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A multinuclear NMR spectroscopy characterization of dinuclear tungsten(VI) complexes of tridentate and pentadentate meso-d-glycero-d-gulo-heptitol and d-glycero-l-gulo-heptitol
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Quasi-atomistic receptor modeling
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Hydrogen bonding in noncovalent synthesis: selectivity and the directed organization of molecular strands
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Use of 1,2,3-trisubstituted cyclopropanes as conformationally constrained peptide mimics in SH2 antagonists
inferred← citeshttps://doi.org/10.1016/s0065-2490(05)80004-8openalex-snapshot
Drug design: the present and the future
inferred← citeshttps://doi.org/10.1016/s0065-3233(08)60548-3openalex-snapshot
Energetics of Protein Structure
inferred← citeshttps://doi.org/10.1016/s0076-6879(00)23366-1openalex-snapshot
Calculation of entropy changes in biological processes: Folding, binding, and oligomerization
inferred← citeshttps://doi.org/10.1016/s0079-6468(08)70097-3openalex-snapshot
7 Isothermal Titration Calorimetry in Drug Discovery
inferred← citeshttps://doi.org/10.1016/s0166-1280(00)00508-xopenalex-snapshot
A new nicotinic acetylcholine minireceptor model: a theoretical thermodynamic analysis of simultaneous cation-π and hydrogen bond interactions
inferred← citeshttps://doi.org/10.1016/s0166-1280(97)00353-9openalex-snapshot
Toward a platelet-activating factor pseudoreceptor: Semiempirical modeling of cation-π and hydrogen bond interactions in agonist binding
inferred← citeshttps://doi.org/10.1016/s0277-5387(00)84377-6openalex-snapshot
Thermodynamics of several boron acid complexation reactions studied by variable-temperature 1H and 11B NMR spectroscopy
inferred← citeshttps://doi.org/10.1016/s0959-440x(94)90315-8openalex-snapshot
Theory of macromolecule-ligand interactions
inferred← citeshttps://doi.org/10.1016/s0960-894x(99)00273-5openalex-snapshot
Synthesis of 8-oxa analogues of norcocaine endowed with interesting cocaine-like activity
inferred← citeshttps://doi.org/10.1016/s0968-0896(00)00090-0openalex-snapshot
Hydrogen bonding isosteres: bimolecular carboxylic acid and amine-N-oxide interactions mediated via CH···O hydrogen bonds
inferred← citeshttps://doi.org/10.1016/s0968-0896(02)00449-2openalex-snapshot
Rational design and synthesis of peptide ligands for an anti-Carbohydrate antibody and Their immunochemical characterization
inferred← citeshttps://doi.org/10.1016/s0968-0896(02)00536-9openalex-snapshot
Role of solution conformation and flexibility of short peptide ligands that bind to the p56lck SH2 domain
inferred← citeshttps://doi.org/10.1016/s0968-0896(97)00162-4openalex-snapshot
Enantiomers of cis- and trans-3-(4-propyl-cyclopent-2-enyl) propyl acetate. A study on the bioactive conformation and chiral recognition of a moth sex pheromone component
inferred← citeshttps://doi.org/10.1016/s1063-5823(02)52010-xopenalex-snapshot
Free energy determinants of peptide association with lipid bilayers
inferred← citeshttps://doi.org/10.1016/s1074-5521(00)00136-8openalex-snapshot
Structural basis for chitin recognition by defense proteins: GlcNAc residues are bound in a multivalent fashion by extended binding sites in hevein domains
inferred← citeshttps://doi.org/10.1016/s1074-5521(02)00218-1openalex-snapshot
Steric Interference Modification of the Hammerhead Ribozyme
inferred← citeshttps://doi.org/10.1016/s1074-5521(97)90067-3openalex-snapshot
Getting it together: signal transduction in G-protein coupled receptors by association of receptor domains
inferred← citeshttps://doi.org/10.1016/s1074-5521(99)80047-7openalex-snapshot
Binding of a dimeric derivative of vancomycin to l-Lys-d-Ala- d-lactate in solution and at a surface
inferred← citeshttps://doi.org/10.1016/s1569-2558(08)60145-9openalex-snapshot
An Approach Toward the Semiquantitation of Molecular Recognition Phenomena in Noncovalent Molecularly Imprinted Polymer Systems: Consequences for Molecularly Imprinted Polymer Design
inferred← citeshttps://doi.org/10.1016/s1574-1400(05)01009-1openalex-snapshot
Chapter 9 Calculating Binding Free Energy in Protein–Ligand Interaction
inferred← citeshttps://doi.org/10.1021/acs.biochem.6b01142openalex-snapshot
A Gradient of Sitewise Diversity Promotes Evolutionary Fitness for Binder Discovery in a Three-Helix Bundle Protein Scaffold
inferred← citeshttps://doi.org/10.1021/acs.chemrev.1c00862openalex-snapshot
Transition Metal Catalysis Controlled by Hydrogen Bonding in the Second Coordination Sphere
inferred← citeshttps://doi.org/10.1021/acs.chemrev.5b00583openalex-snapshot
Experimental Binding Energies in Supramolecular Complexes
inferred← citeshttps://doi.org/10.1021/acs.jctc.8b00516openalex-snapshot
Generation of Pairwise Potentials Using Multidimensional Data Mining
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.8b01093openalex-snapshot
Battle against Vancomycin-Resistant Bacteria: Recent Developments in Chemical Strategies
inferred← citeshttps://doi.org/10.1021/acs.joc.5b00762openalex-snapshot
How Microsolvation Numbers at Li Control Aggregation Modes, sp2-Stereoinversion, and NMR Coupling Constants2JH,Hof H2C═C in α-(2,6-Dimethylphenyl)vinyllithium
inferred← citeshttps://doi.org/10.1021/acs.jpcb.3c03799openalex-snapshot
Using Implicit-Solvent Potentials to Extract Water Contributions to Enthalpy–Entropy Compensation in Biomolecular Associations
inferred← citeshttps://doi.org/10.1021/acs.jpcc.2c04223openalex-snapshot
Thermodynamics of the Adsorption of Cadmium Oleate to Cadmium Sulfide Quantum Dots and Implications of a Dynamic Ligand Shell
inferred← citeshttps://doi.org/10.1021/acs.langmuir.4c03104openalex-snapshot
Lipid Compositions of Liquid-Ordered and Liquid-Disordered Phases in Ternary Membranes of Sphingomyelin, Cholesterol, and Dioleoylphosphatidylcholine Determined by 2H NMR: Stearoyl-Sphingomyelin Compared with Its Palmitoyl Counterpart
inferred← citeshttps://doi.org/10.1021/acs.macromol.8b00325openalex-snapshot
Stretch-Induced Coil–Helix Transition in Isotactic Polypropylene: A Molecular Dynamics Simulation
inferred← citeshttps://doi.org/10.1021/acs.nanolett.8b02661openalex-snapshot
Thermochemical Measurements of Cation Exchange in CdSe Nanocrystals Using Isothermal Titration Calorimetry
inferred← citeshttps://doi.org/10.1021/acsami.5c25862openalex-snapshot
Branched Alkyl Chain-Guided Modulation of BODIPY Packing Polymorphism for Engineering Thin-Film J-Aggregates
inferred← citeshttps://doi.org/10.1021/acscombsci.8b00182openalex-snapshot
Biophysical Characterization Platform Informs Protein Scaffold Evolvability
inferred← citeshttps://doi.org/10.1021/acssuschemeng.9b00554openalex-snapshot
Reversible Construction of Ionic Networks Through Cooperative Hydrogen Bonds for Efficient Ammonia Absorption
inferred← citeshttps://doi.org/10.1021/acssynbio.3c00409openalex-snapshot
Hyperstable Synthetic Mini-Proteins as Effective Ligand Scaffolds
inferred← citeshttps://doi.org/10.1021/bi00028a037openalex-snapshot
Chiral Chemical Synthesis of DNA Containing (S)-9-(1,3-Dihydroxy-2-propoxymethyl)guanine (DHPG) and Effects on Thermal Stability, Duplex Structure, and Thermodynamics of Duplex Formation
inferred← citeshttps://doi.org/10.1021/bi00090a020openalex-snapshot
Binding of acylated peptides and fatty acids to phospholipid vesicles: Pertinence to myristoylated proteins
inferred← citeshttps://doi.org/10.1021/bi034687mopenalex-snapshot
Molecular Dynamics of the Long Neurotoxin LSIII
inferred← citeshttps://doi.org/10.1021/bk-2012-1120.ch011openalex-snapshot
Protein−Carbohydrate Interactions on the Surfaces of Glycosylated Membranes
inferred← citeshttps://doi.org/10.1021/cr500344eopenalex-snapshot
Cooperativity in Noncovalent Interactions
inferred← citeshttps://doi.org/10.1021/cr500674copenalex-snapshot
Halogen Bonding in Supramolecular Chemistry
inferred← citeshttps://doi.org/10.1021/cr9700538openalex-snapshot
Chemistry, Design, and Structure−Activity Relationship of Cocaine Antagonists
inferred← citeshttps://doi.org/10.1021/cr990052aopenalex-snapshot
Theoretical Methods for the Description of the Solvent Effect in Biomolecular Systems
inferred← citeshttps://doi.org/10.1021/cr990343jopenalex-snapshot
Structure, Conformation, and Dynamics of Bioactive Oligosaccharides: Theoretical Approaches and Experimental Validations
inferred← citeshttps://doi.org/10.1021/cr990416zopenalex-snapshot
Isokinetic Relationship, Isoequilibrium Relationship, and Enthalpy−Entropy Compensation
inferred← citeshttps://doi.org/10.1021/ct400383vopenalex-snapshot
Efficient Computation of Small-Molecule Configurational Binding Entropy and Free Energy Changes by Ensemble Enumeration
inferred← citeshttps://doi.org/10.1021/ic101220vopenalex-snapshot
Dimerization of Dendrimeric Lanthanide Complexes: Thermodynamic, Thermal, and Liquid-Crystalline Properties
inferred← citeshttps://doi.org/10.1021/ic961401bopenalex-snapshot
Neutral Ferrocenoyl Receptors for the Selective Recognition and Sensing of Anionic Guests
inferred← citeshttps://doi.org/10.1021/ja0029230openalex-snapshot
Enthalpy/Entropy Compensation as a Competition between Dynamics and Bonding: The Relevance to Melting of Crystals and Biological Aggregates
inferred← citeshttps://doi.org/10.1021/ja015935+openalex-snapshot
The Mechanism for Water Exchange in [UO2(H2O)5]2+ and [UO2(oxalate)2(H2O)]2-, as Studied by Quantum Chemical Methods
inferred← citeshttps://doi.org/10.1021/ja020619wopenalex-snapshot
Continuous Symmetry Numbers and Entropy
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