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Inhibitor and Substrate Binding by Angiotensin-Converting Enzyme: Quantum Mechanical/Molecular Mechanical Molecular Dynamics Studies

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Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/(sici)1521-3951(200001)217:1<357::aid-pssb357>3.0.co;2-jopenalex-snapshot
A Self-Consistent Charge Density-Functional Based Tight-Binding Scheme for Large Biomolecules
inferredcites →https://doi.org/10.1002/9780470123034.ch1openalex-snapshot
The Design and Properties of N‐Carboxyalkyldipeptide Inhibitors of Angiotensin‐Converting Enzyme
inferredcites →https://doi.org/10.1002/9780470125847.ch3openalex-snapshot
Methods and Applications of Combined Quantum Mechanical and Molecular Mechanical Potentials
inferredcites →https://doi.org/10.1002/jcc.10201openalex-snapshot
Modeling zinc in biomolecules with the self consistent charge‐density functional tight binding (SCC‐DFTB) method: Applications to structural and energetic analysis
inferredcites →https://doi.org/10.1002/jcc.540110605openalex-snapshot
A combined quantum mechanical and molecular mechanical potential for molecular dynamics simulations
inferredcites →https://doi.org/10.1002/jcc.540150702openalex-snapshot
New spherical‐cutoff methods for long‐range forces in macromolecular simulation
inferredcites →https://doi.org/10.1002/jmr.905openalex-snapshot
Studies on the molecular recognition between bioactive peptides and angiotensin‐converting enzyme
inferredcites →https://doi.org/10.1007/s00018-004-4239-0openalex-snapshot
What’s new in the renin-angiotensin system?
inferredcites →https://doi.org/10.1016/0021-9991(77)90098-5openalex-snapshot
Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes
inferredcites →https://doi.org/10.1016/0022-2836(76)90311-9openalex-snapshot
Theoretical studies of enzymic reactions: Dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme
inferredcites →https://doi.org/10.1016/0022-2836(89)90093-4openalex-snapshot
Solvent effects on protein motion and protein effects on solvent motion
inferredcites →https://doi.org/10.1016/j.jinorgbio.2009.12.022openalex-snapshot
QM/MM X-ray refinement of zinc metalloenzymes
inferredcites →https://doi.org/10.1016/j.jmb.2006.01.048openalex-snapshot
Crystal Structure of the N Domain of Human Somatic Angiotensin I-converting Enzyme Provides a Structural Basis for Domain-specific Inhibitor Design
inferredcites →https://doi.org/10.1016/j.jmb.2010.05.024openalex-snapshot
High-Resolution Crystal Structures of Drosophila melanogaster Angiotensin-Converting Enzyme in Complex with Novel Inhibitors and Antihypertensive Drugs
inferredcites →https://doi.org/10.1016/j.theochem.2008.08.018openalex-snapshot
Thermodynamics of binding of angiotensin-converting enzyme inhibitors to enzyme active site model
inferredcites →https://doi.org/10.1016/s0014-5793(03)00128-5openalex-snapshot
Crystal structure of Drosophila angiotensin I‐converting enzyme bound to captopril and lisinopril1
inferredcites →https://doi.org/10.1016/s0022-3565(24)29576-8openalex-snapshot
RXP 407, a Selective Inhibitor of the N-Domain of Angiotensin I-Converting Enzyme, Blocks in Vivo the Degradation of Hemoregulatory Peptide Acetyl-Ser-Asp-Lys-Pro with No Effect on Angiotensin I Hydrolysis
inferredcites →https://doi.org/10.1021/ar00153a003openalex-snapshot
Structural basis of the action of thermolysin and related zinc peptidases
inferredcites →https://doi.org/10.1021/ar00158a003openalex-snapshot
Carboxypeptidase A
inferredcites →https://doi.org/10.1021/bi00270a016openalex-snapshot
Activation of angiotensin converting enzyme by monovalent anions
inferredcites →https://doi.org/10.1021/bi00285a021openalex-snapshot
Anion activation of angiotensin converting enzyme: dependence on nature of substrate
inferredcites →https://doi.org/10.1021/bi00319a011openalex-snapshot
An interactive computer graphics study of thermolysin-catalyzed peptide cleavage and inhibition by N-carboxymethyl dipeptides
inferredcites →https://doi.org/10.1021/bi00644a014openalex-snapshot
Design of potent competitive inhibitors of angiotensin-converting enzyme. Carboxyalkanoyl and mercaptoalkanoyl amino acids
inferredcites →https://doi.org/10.1021/bi049480nopenalex-snapshot
Structural Details on the Binding of Antihypertensive Drugs Captopril and Enalaprilat to Human Testicular Angiotensin I-Converting Enzyme ,
inferredcites →https://doi.org/10.1021/bi061146zopenalex-snapshot
Structure of Testis ACE Glycosylation Mutants and Evidence for Conserved Domain Movement ,
inferredcites →https://doi.org/10.1021/bi700253qopenalex-snapshot
Simulated Interactions between Angiotensin-Converting Enzyme and Substrate Gonadotropin-Releasing Hormone: Novel Insights into Domain Selectivity
inferredcites →https://doi.org/10.1021/bi700275eopenalex-snapshot
The Structure of Testis Angiotensin-Converting Enzyme in Complex with the C Domain-Specific Inhibitor RXPA380,
inferredcites →https://doi.org/10.1021/bi701950jopenalex-snapshot
Proton Transfer in Carbonic Anhydrase Is Controlled by Electrostatics Rather than the Orientation of the Acceptor
inferredcites →https://doi.org/10.1021/bi8002605openalex-snapshot
Probing the Basis of Domain-Dependent Inhibition Using Novel Ketone Inhibitors of Angiotensin-Converting Enzyme
inferredcites →https://doi.org/10.1021/ci9005047openalex-snapshot
A Computational Approach to the Study of the Binding Mode of Dual ACE/NEP Inhibitors
inferredcites →https://doi.org/10.1021/cr950042jopenalex-snapshot
Recent Advances in Zinc Enzymology
inferredcites →https://doi.org/10.1021/ct7000792openalex-snapshot
Peptide Hydrolysis in Thermolysin: Ab Initio QM/MM Investigation of the Glu143-Assisted Water Addition Mechanism
inferredcites →https://doi.org/10.1021/ct9005322openalex-snapshot
Flexibility of Catalytic Zinc Coordination in Thermolysin and HDAC8: A Born−Oppenheimer ab Initio QM/MM Molecular Dynamics Study
inferredcites →https://doi.org/10.1021/ja00022a010openalex-snapshot
Force field design for metalloproteins
inferredcites →https://doi.org/10.1021/ja00124a002openalex-snapshot
A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules
inferredcites →https://doi.org/10.1021/ja072532mopenalex-snapshot
Antibiotic Deactivation by a Dizinc β-Lactamase: Mechanistic Insights from QM/MM and DFT Studies
inferredcites →https://doi.org/10.1021/ja104241gopenalex-snapshot
QM/MM Studies of Monozinc β-Lactamase CphA Suggest That the Crystal Structure of an Enzyme−Intermediate Complex Represents a Minor Pathway
inferredcites →https://doi.org/10.1021/ja9027988openalex-snapshot
Quantum Mechanical/Molecular Mechanical and Density Functional Theory Studies of a Prototypical Zinc Peptidase (Carboxypeptidase A) Suggest a General Acid−General Base Mechanism
inferredcites →https://doi.org/10.1021/jm00186a020openalex-snapshot
Synthesis and biological activity of a ketomethylene analog of a tripeptide inhibitor of angiotensin converting enzyme
inferredcites →https://doi.org/10.1021/jm0505112openalex-snapshot
Antibiotic Binding to Monozinc CphA β-Lactamase from Aeromonas hydropila: Quantum Mechanical/Molecular Mechanical and Density Functional Theory Studies
inferredcites →https://doi.org/10.1021/jp0029109openalex-snapshot
A QM/MM Implementation of the Self-Consistent Charge Density Functional Tight Binding (SCC-DFTB) Method
inferredcites →https://doi.org/10.1021/jp056361oopenalex-snapshot
Development of Effective Quantum Mechanical/Molecular Mechanical (QM/MM) Methods for Complex Biological Processes
inferredcites →https://doi.org/10.1021/jp068746sopenalex-snapshot
Antibiotic Binding to Dizinc β-Lactamase L1 from Stenotrophomonas maltophilia: SCC-DFTB/CHARMM and DFT Studies
inferredcites →https://doi.org/10.1021/jp070699wopenalex-snapshot
pKa Analysis for the Zinc-Bound Water in Human Carbonic Anhydrase II: Benchmark for “Multiscale” QM/MM Simulations and Mechanistic Implications
inferredcites →https://doi.org/10.1021/jp073864gopenalex-snapshot
Inhibitor Binding by Metallo-β-lactamase IMP-1 from Pseudomonas aeruginosa: Quantum Mechanical/Molecular Mechanical Simulations
inferredcites →https://doi.org/10.1021/jp101448jopenalex-snapshot
Catalysis of Carboxypeptidase A: Promoted-Water versus Nucleophilic Pathways
inferredcites →https://doi.org/10.1021/jp973084fopenalex-snapshot
All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins
inferredcites →https://doi.org/10.1038/288280a0openalex-snapshot
A new class of angiotensin-converting enzyme inhibitors
inferredcites →https://doi.org/10.1038/nature01370openalex-snapshot
Crystal structure of the human angiotensin-converting enzyme–lisinopril complex
inferredcites →https://doi.org/10.1038/nrd1227openalex-snapshot
Ace revisited: A new target for structure-based drug design
inferredcites →https://doi.org/10.1038/nrd873openalex-snapshot
Drugs targeting the renin–angiotensin–aldosterone system
inferredcites →https://doi.org/10.1063/1.445869openalex-snapshot
Comparison of simple potential functions for simulating liquid water
inferredcites →https://doi.org/10.1073/pnas.85.24.9386openalex-snapshot
Two putative active centers in human angiotensin I-converting enzyme revealed by molecular cloning.
inferredcites →https://doi.org/10.1073/pnas.86.20.7741openalex-snapshot
Molecular cloning of human testicular angiotensin-converting enzyme: the testis isozyme is identical to the C-terminal half of endothelial angiotensin-converting enzyme.
inferredcites →https://doi.org/10.1073/pnas.96.8.4330openalex-snapshot
RXP 407, a phosphinic peptide, is a potent inhibitor of angiotensin I converting enzyme able to differentiate between its two active sites
inferredcites →https://doi.org/10.1074/jbc.m101495200openalex-snapshot
Arg1098 Is Critical for the Chloride Dependence of Human Angiotensin I-converting Enzyme C-domain Catalytic Activity
inferredcites →https://doi.org/10.1074/jbc.m512517200openalex-snapshot
Catalytic Mechanism of Class B2 Metallo-β-lactamase
inferredcites →https://doi.org/10.1084/jem.103.3.295openalex-snapshot
THE PREPARATION AND FUNCTION OF THE HYPERTENSIN-CONVERTING ENZYME
inferredcites →https://doi.org/10.1093/protein/gzg122openalex-snapshot
Structure-function discrimination of the N- and C- catalytic domains of human angiotensin-converting enzyme: implications for Cl- activation and peptide hydrolysis mechanisms
inferredcites →https://doi.org/10.1097/fjc.0b013e31813c6ca5openalex-snapshot
Towards Triple Vasopeptidase Inhibitors for the Treatment of Cardiovascular Diseases
inferredcites →https://doi.org/10.1107/s0108270195016180openalex-snapshot
Hippuryl-L-histidyl-L-leucine, a Substrate for Angiotensin Converting Enzyme
inferredcites →https://doi.org/10.1126/science.191908openalex-snapshot
Design of Specific Inhibitors of Angiotensin-Converting Enzyme: New Class of Orally Active Antihypertensive Agents
inferredcites →https://doi.org/10.1146/annurev.bi.51.070182.001435openalex-snapshot
Enzymes of the Renin-Angiotensin System and their Inhibitors
inferredcites →https://doi.org/10.1161/01.cir.97.14.1411openalex-snapshot
Angiotensin-Converting Enzyme Inhibitors
inferredcites →https://doi.org/10.1161/01.res.0000081593.33848.fcopenalex-snapshot
Roles of the Two Active Sites of Somatic Angiotensin-Converting Enzyme in the Cleavage of Angiotensin I and Bradykinin
inferredcites →https://doi.org/10.1196/annals.1352.035openalex-snapshot
Development of Domain‐Selective Angiotensin I‐Converting Enzyme Inhibitors

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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