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Strong and weak hydrogen bonds in the protein–ligand interface
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Outgoing claims: the papers this work cites, builds on, or argues with.
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Pex, analytical tools for PDB files. II. H-Pex: Noncanonical H-bonds in ?-helices
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A new test set for validating predictions of protein–ligand interaction
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NH…O, OH…O, and CH…O hydrogen bonds in protein–ligand complexes: Strong and weak interactions in molecular recognition
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Is there a weak H‐bond → LBHB transition on tetrahedral complex formation in serine proteases?
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Statistical and molecular dynamics studies of buried waters in globular proteins
inferredcites →https://doi.org/10.1002/prot.340090204openalex-snapshot
Hydrogen bonds involving sulfur atoms in proteins
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Satisfying Hydrogen Bonding Potential in Proteins
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(His)Cε-H···O=C< Hydrogen Bond in the Active Sites of Serine Hydrolases
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C—H⋯O hydrogen bond involving proline residues in α-helices
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Asparagine and glutamine: using hydrogen atom contacts in the choice of side-chain amide orientation 1 1Edited by J. Thornton
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Active-site gorge and buried water molecules in crystal structures of acetylcholinesterase from Torpedo californica 1 1Edited by R. Huber
inferredcites →https://doi.org/10.1006/jmbi.2000.4301openalex-snapshot
Hydrogen bonds with π-acceptors in proteins: frequencies and role in stabilizing local 3D structures11Edited by R. Huber
inferredcites →https://doi.org/10.1006/jmbi.2000.4473openalex-snapshot
C-h⋯π-interactions in proteins
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Do water molecules mediate protein-DNA recognition? 1 1Edited by B. Honig
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Directional Aspects of Intermolecular Interactions
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Hydrogen Bonding in Biological Structures
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Encyclopedia of Computational Chemistry
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Hydrogen bonding in biological structures
inferredcites →https://doi.org/10.1016/0079-6107(84)90007-5openalex-snapshot
Hydrogen bonding in globular proteins
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Halogen acceptors in hydrogen bonding
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Are Acidic and Basic Groups in Buried Proteins Predicted to be Ionized?
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A C–H⋯O Hydrogen Bond Stabilized Polypeptide Chain Reversal Motif at the C Terminus of Helices in Proteins
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An Orientation-dependent Hydrogen Bonding Potential Improves Prediction of Specificity and Structure for Proteins and Protein–Protein Complexes
inferredcites →https://doi.org/10.1016/s0022-2836(05)80364-xopenalex-snapshot
Hydrogen bond stereochemistry in protein structure and function
inferredcites →https://doi.org/10.1016/s0169-409x(00)00129-0openalex-snapshot
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings 1PII of original article: S0169-409X(96)00423-1. The article was originally published in Advanced Drug Delivery Reviews 23 (1997) 3–25. 1
inferredcites →https://doi.org/10.1016/s0169-409x(96)00423-1openalex-snapshot
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
inferredcites →https://doi.org/10.1016/s0969-2126(02)00828-6openalex-snapshot
C–H···O Hydrogen Bonds in the Nuclear Receptor RARγ—a Potential Tool for Drug Selectivity
inferredcites →https://doi.org/10.1038/nsb0196-24openalex-snapshot
The structure of r(UUCGCG) has a 5′-UU-overhang exhibiting Hoogsteen-like trans U•U base pairs
inferredcites →https://doi.org/10.1042/bj20051367openalex-snapshot
Evolutionarily conserved structural motifs in bacterial GST (glutathione S-transferase) are involved in protein folding and stability
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Halogen bonds in biological molecules
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Glycine Residues Provide Flexibility for Enzyme Active Sites
inferredcites →https://doi.org/10.1074/jbc.m010770200openalex-snapshot
Strength of the CαH··O Hydrogen Bond of Amino Acid Residues
inferredcites →https://doi.org/10.1074/jbc.m204514200openalex-snapshot
CH···O Hydrogen Bonds at Protein-Protein Interfaces
inferredcites →https://doi.org/10.1074/jbc.m504098200openalex-snapshot
A Ligand-mediated Hydrogen Bond Network Required for the Activation of the Mineralocorticoid Receptor
inferredcites →https://doi.org/10.1093/acprof:oso/9780198509707.001.0001openalex-snapshot
The Weak Hydrogen Bond
inferredcites →https://doi.org/10.1093/bioinformatics/12.4.281openalex-snapshot
HBexplore—a new tool for identifying and analysing hydrogen bonding patterns in biological macromolecules
inferredcites →https://doi.org/10.1093/bioinformatics/15.4.327openalex-snapshot
Automated analysis of interatomic contacts in proteins.
inferredcites →https://doi.org/10.1093/bioinformatics/19.1.167openalex-snapshot
Detection of hydrogen-bond signature patterns in protein families
inferredcites →https://doi.org/10.1093/nar/gkg528openalex-snapshot
NCI: a server to identify non-canonical interactions in protein structures
inferredcites →https://doi.org/10.1093/nar/gkh028openalex-snapshot
The Catalytic Site Atlas: a resource of catalytic sites and residues identified in enzymes using structural data
inferredcites →https://doi.org/10.1107/97809553602060000707openalex-snapshot
Validation of protein crystal structures
inferredcites →https://doi.org/10.1107/s0108768103011510openalex-snapshot
Halogen-bond geometry: a crystallographic database investigation of dihalogen complexes
inferredcites →https://doi.org/10.1107/s0907444994003112openalex-snapshot
The CCP4 suite: programs for protein crystallography
inferredcites →https://doi.org/10.1107/s0907444994007614openalex-snapshot
Water molecules which apparently accept no hydrogen bonds are systematically involved in C—H.O interactions
inferredcites →https://doi.org/10.1107/s0907444995003313openalex-snapshot
Intermolecular interactions around functional groups in crystals: data for modeling the binding of drugs to biological macromolecules
inferredcites →https://doi.org/10.1107/s0907444997000383openalex-snapshot
C—H...O Hydrogen Bonds in β-sheets
inferredcites →https://doi.org/10.1107/s0907444999016364openalex-snapshot
Validation of protein crystal structures
inferredcites →https://doi.org/10.1110/ps.09201openalex-snapshot
Hydrogen‐bonding classes in proteins and their contribution to the unfolding reaction
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Polypharmacology rescored: Protein–ligand interaction profiles for remote binding site similarity assessment
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Three-dimensional triazenido layers attained through classical and non-classical hydrogen interactions and its coordination to palladium under prolific occurrence of bifurcated hydrogen bonding
inferred← citeshttps://doi.org/10.1016/j.poly.2015.09.007openalex-snapshot
Synthesis, structure and SOD activity of Mn complexes with symmetric Schiff base ligands derived from pyridoxal
inferred← citeshttps://doi.org/10.1016/j.poly.2015.09.069openalex-snapshot
Supramolecular solid-state patterns generated by hydrogen bonding and π–π stacking interactions in the mononuclear Cr(III) complexes
inferred← citeshttps://doi.org/10.1016/j.saa.2016.12.006openalex-snapshot
Noncovalent interactions from electron density topology and solvent effects on spectral properties of Schiff bases
inferred← citeshttps://doi.org/10.1016/j.saa.2021.120006openalex-snapshot
Computational details of molecular structure, spectroscopic properties, topological studies and SARS-Cov-2 enzyme molecular docking simulation of substituted triazolo pyrimidine thione heterocycles
inferred← citeshttps://doi.org/10.1016/j.seppur.2025.133205openalex-snapshot
Engineering hydrogen-bonded organic frameworks: Pioneering membrane materials for advanced separation
inferred← citeshttps://doi.org/10.1016/j.str.2018.01.006openalex-snapshot
"To Be or Not to Be" Protonated: Atomic Details of Human Carbonic Anhydrase-Clinical Drug Complexes by Neutron Crystallography and Simulation
inferred← citeshttps://doi.org/10.1016/j.surfin.2021.101446openalex-snapshot
Adsorption of diatomic molecules on nitrogenated holey graphene: Theoretical insights
inferred← citeshttps://doi.org/10.1016/j.tet.2015.01.044openalex-snapshot
2-Substituted and 2,2-disubstituted adamantane derivatives as models for studying substituent chemical shifts and C–Hax⋯Yax cyclohexane contacts—results from experimental and theoretical NMR spectroscopic chemical shifts and DFT structures
inferred← citeshttps://doi.org/10.1016/j.tetlet.2010.02.170openalex-snapshot
Improper hydrogen-bonded cyclohexane C–Hax⋯Yax contacts: experimental evidence from 1H NMR spectroscopy of suitable axial cyclohexane models
inferred← citeshttps://doi.org/10.1016/j.ymeth.2018.04.005openalex-snapshot
An NMR strategy to detect conformational differences in a protein complexed with highly analogous inhibitors in solution
inferred← citeshttps://doi.org/10.1021/acs.cgd.6c00922openalex-snapshot
Direct Optical Mapping of Hydrogen Bond Energies and the Emergence of a Nanourea-Stabilized Glassy Crystal Phase
inferred← citeshttps://doi.org/10.1021/acs.jcim.0c01188openalex-snapshot
A Step toward the Quantification of Noncovalent Interactions in Large Biological Systems: The Independent Gradient Model-Extremely Localized Molecular Orbital Approach
inferred← citeshttps://doi.org/10.1021/acs.jcim.7b00291openalex-snapshot
NAOMI nova: Interactive Geometric Analysis of Noncovalent Interactions in Macromolecular Structures
inferred← citeshttps://doi.org/10.1021/acs.jcim.8b00266openalex-snapshot
Salt Bridge in Ligand–Protein Complexes—Systematic Theoretical and Statistical Investigations
inferred← citeshttps://doi.org/10.1021/acs.jctc.2c01092openalex-snapshot
Extracting Quantitative Information at Quantum Mechanical Level from Noncovalent Interaction Index Analyses
inferred← citeshttps://doi.org/10.1021/acs.jctc.9b00658openalex-snapshot
NCI-ELMO: A New Method To Quickly and Accurately Detect Noncovalent Interactions in Biosystems
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.1c01688openalex-snapshot
Identification of MRTX1133, a Noncovalent, Potent, and Selective KRAS G12D Inhibitor
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.7b00101openalex-snapshot
Large-Scale Analysis of Hydrogen Bond Interaction Patterns in Protein–Ligand Interfaces
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.7b01812openalex-snapshot
Synthesis and Pharmacological Evaluation of Heterocyclic Carboxamides: Positive Allosteric Modulators of the M1 Muscarinic Acetylcholine Receptor with Weak Agonist Activity and Diverse Modulatory Profiles
inferred← citeshttps://doi.org/10.1021/acs.jpcb.5c00155openalex-snapshot
From Weak Interactions to High Stability: Deciphering the Streptavidin–Biotin Interaction through NMR and Computational Analysis
inferred← citeshttps://doi.org/10.1021/acs.jpcb.7b04198openalex-snapshot
Do Halogen–Hydrogen Bond Donor Interactions Dominate the Favorable Contribution of Halogens to Ligand–Protein Binding?
inferred← citeshttps://doi.org/10.1021/acschemneuro.9b00650openalex-snapshot
The Brain Exposure Efficiency (BEE) Score
inferred← citeshttps://doi.org/10.1021/ci300377fopenalex-snapshot
Comprehensive Classification and Diversity Assessment of Atomic Contacts in Protein–Small Ligand Interactions
inferred← citeshttps://doi.org/10.1021/ct100641aopenalex-snapshot
NCIPLOT: A Program for Plotting Noncovalent Interaction Regions
inferred← citeshttps://doi.org/10.1021/ct800267xopenalex-snapshot
Geometrical Preferences of the Hydrogen Bonds on Protein−Ligand Binding Interface Derived from Statistical Surveys and Quantum Mechanics Calculations
inferred← citeshttps://doi.org/10.1021/jm100112jopenalex-snapshot
A Medicinal Chemist’s Guide to Molecular Interactions
inferred← citeshttps://doi.org/10.1021/jm1003683openalex-snapshot
Molecular Switch Controlling the Binding of Anionic Bile Acid Conjugates to Human Apical Sodium-Dependent Bile Acid Transporter
inferred← citeshttps://doi.org/10.1021/jm400087kopenalex-snapshot
Increasing the Efficiency of Ligands for FK506-Binding Protein 51 by Conformational Control
inferred← citeshttps://doi.org/10.1021/jm400231vopenalex-snapshot
Extreme Multidrug Resistant HIV-1 Protease with 20 Mutations Is Resistant to Novel Protease Inhibitors with P1′-Pyrrolidinone or P2-Tris-tetrahydrofuran
inferred← citeshttps://doi.org/10.1021/jm801331yopenalex-snapshot
The p K BHX Database: Toward a Better Understanding of Hydrogen-Bond Basicity for Medicinal Chemists
inferred← citeshttps://doi.org/10.1021/jm900303mopenalex-snapshot
Design of HIV-1 Protease Inhibitors with Pyrrolidinones and Oxazolidinones as Novel P1′-Ligands To Enhance Backbone-Binding Interactions with Protease: Synthesis, Biological Evaluation, and Protein−Ligand X-ray Studies
inferred← citeshttps://doi.org/10.1021/jm900695wopenalex-snapshot
Design, Synthesis, Protein−Ligand X-ray Structure, and Biological Evaluation of a Series of Novel Macrocyclic Human Immunodeficiency Virus-1 Protease Inhibitors to Combat Drug Resistance
inferred← citeshttps://doi.org/10.1021/jo102353fopenalex-snapshot
Improper Hydrogen Bonded Cyclohexane C–Hax···YaxContacts: Theoretical Predictions and Experimental Evidence from1H NMR Spectroscopy of Suitable Axial Cyclohexane Models
inferred← citeshttps://doi.org/10.1021/jo801835aopenalex-snapshot
C-Hax···YaxContacts in Cyclohexane Derivatives Revisited−Identification of Improper Hydrogen-Bonded Contacts
inferred← citeshttps://doi.org/10.1021/jp101654gopenalex-snapshot
Stabilizing of a Globular Protein by a Highly Complex Water Network: A Molecular Dynamics Simulation Study on Factor Xa
inferred← citeshttps://doi.org/10.1021/jp400655vopenalex-snapshot
On the Behavior of Water at Subfreezing Temperatures in a Protein Crystal: Evidence of Higher Mobility Than in Bulk Water
inferred← citeshttps://doi.org/10.1021/jp4068872openalex-snapshot
Weak Hydrogen Bonds Formed by Thiol Groups in N-Acetyl- l -Cysteine and Their Response to the Crystal Structure Distortion on Increasing Pressure
inferred← citeshttps://doi.org/10.1021/jp4111376openalex-snapshot
Following the Molecular Mechanism for the NH3+ LiH → LiNH2+ H2Chemical Reaction: A Study Based on the Joint Use of the Quantum Theory of Atoms in Molecules (QTAIM) and Noncovalent Interaction (NCI) Index
inferred← citeshttps://doi.org/10.1021/jp502739copenalex-snapshot
Toward the Development of the Potential with Angular Distortion for Halogen Bond: A Comparison of Potential Energy Surfaces between Halogen Bond and Hydrogen Bond
inferred← citeshttps://doi.org/10.1021/jp505107gopenalex-snapshot
Affinity of Molecular Ions for DNA Structures Is Determined by Solvent-Accessible Surface Area
inferred← citeshttps://doi.org/10.1021/jp801605yopenalex-snapshot
Complexation of Phenols and Thiophenol by Phosphine Oxides and Phosphates. Extraction, Isothermal Titration Calorimetry, and ab Initio Calculations
inferred← citeshttps://doi.org/10.1021/jp906402bopenalex-snapshot
Fluorine in Protein Environments: A QM and MD Study
inferred← citeshttps://doi.org/10.1021/mp100233vopenalex-snapshot
Structural Determinants for Transport across the Intestinal Bile Acid Transporter Using C-24 Bile Acid Conjugates
inferred← citeshttps://doi.org/10.1021/mp800035hopenalex-snapshot
Computational Model for Predicting Chemical Substituent Effects on Passive Drug Permeability across Parallel Artificial Membranes
inferred← citeshttps://doi.org/10.1038/s41467-021-27142-6openalex-snapshot
Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ)
inferred← citeshttps://doi.org/10.1038/s41598-023-40614-7openalex-snapshot
Chemical features and machine learning assisted predictions of protein-ligand short hydrogen bonds
inferred← citeshttps://doi.org/10.1038/s41598-024-78232-6openalex-snapshot
Analysis of damaging non-synonymous SNPs in GPx1 gene associated with the progression of diverse cancers through a comprehensive in silico approach
inferred← citeshttps://doi.org/10.1039/9781788010016-00001openalex-snapshot
Impact and Evolution of Biophysics in Medicinal Chemistry
inferred← citeshttps://doi.org/10.1039/b809178aopenalex-snapshot
Potent HIV-1 protease inhibitors incorporating meso-bicyclic urethanes as P2-ligands: structure-based design, synthesis, biological evaluation and protein–ligand X-ray studies
inferred← citeshttps://doi.org/10.1039/b908152fopenalex-snapshot
Appraising the relative strengths of C–H⋯OC and N–H⋯OC interactions from cis-N-methylacetamide multimers
inferred← citeshttps://doi.org/10.1039/b916815jopenalex-snapshot
The role of the methyl group in stabilising the weak N–H⋯π hydrogen bond in the 4-fluorotoluene–ammonia complex
inferred← citeshttps://doi.org/10.1039/b926326hopenalex-snapshot
Nonbonding interactions of organic halogens in biological systems: implications for drug discovery and biomolecular design
inferred← citeshttps://doi.org/10.1039/bk9781782621737-00410openalex-snapshot
The Nature of the Hydrogen Bond, from a Theoretical Perspective
inferred← citeshttps://doi.org/10.1039/c2dt30518fopenalex-snapshot
The controlled relay of multiple protons required at the active site of nitrogenase
inferred← citeshttps://doi.org/10.1039/c5nj00368gopenalex-snapshot
Vinyl sulfone building blocks in covalently reversible reactions with thiols
inferred← citeshttps://doi.org/10.1039/c5ra20657jopenalex-snapshot
An efficient approach to explore the adsorption of benzene and phenol on nanostructured catalysts: a DFT analysis
inferred← citeshttps://doi.org/10.1039/c5ra27748eopenalex-snapshot
Bodipy recognizes polyaromatic hydrocarbons via C–H⋯F type weak H-bonding
inferred← citeshttps://doi.org/10.1039/c6cp06742eopenalex-snapshot
Understanding the self-assembly of amino ester-based benzene-1,3,5-tricarboxamides using molecular dynamics simulations
inferred← citeshttps://doi.org/10.1039/c7md00381aopenalex-snapshot
A systematic analysis of atomic protein–ligand interactions in the PDB
inferred← citeshttps://doi.org/10.1039/c9cp05326copenalex-snapshot
Cooperative nature of the sulfur centered hydrogen bond: investigation of (H 2 S) n ( n = 2–4) clusters using an affordable yet accurate level of theory
inferred← citeshttps://doi.org/10.1039/c9cp06840fopenalex-snapshot
Symmetry and 1 H NMR chemical shifts of short hydrogen bonds: impact of electronic and nuclear quantum effects
inferred← citeshttps://doi.org/10.1039/c9sc01496aopenalex-snapshot
Unraveling the structural and chemical features of biological short hydrogen bonds
inferred← citeshttps://doi.org/10.1039/d0cp01589jopenalex-snapshot
O–H stretching frequency red shifts do not correlate with the dissociation energies in the dimethylether and dimethylsulfide complexes of phenol derivatives
inferred← citeshttps://doi.org/10.1039/d0cs00011fopenalex-snapshot
Supramolecular cancer nanotheranostics
inferred← citeshttps://doi.org/10.1039/d0ra09632fopenalex-snapshot
Inhibitory activity of quercetin, its metabolite, and standard antiviral drugs towards enzymes essential for SARS-CoV-2: the role of acid–base equilibria
inferred← citeshttps://doi.org/10.1039/d3cp02380jopenalex-snapshot
Al distribution and structural stability of H-BEA zeolites at different Si/Al ratios and temperatures: a first-principles study
inferred← citeshttps://doi.org/10.1039/d3cp03492eopenalex-snapshot
Elucidation of protein–ligand interactions by multiple trajectory analysis methods
inferred← citeshttps://doi.org/10.1039/d4cp04344hopenalex-snapshot
In-depth electronic behavior of pentagraphene and pentagonal silicene sheets for DNA nucleobase detection: implications for genetic biomarker sensing
inferred← citeshttps://doi.org/10.1039/d4ob01953aopenalex-snapshot
Computational analysis of energetic features and intermolecular interactions in protein-inhibitor USP7 complexes
inferred← citeshttps://doi.org/10.1039/d5md00848dopenalex-snapshot
Parallels between the chloro and methoxy groups for potency optimization
inferred← citeshttps://doi.org/10.1051/epjconf/202023602001openalex-snapshot
Opportunities and challenges in neutron crystallography
inferred← citeshttps://doi.org/10.1055/a-1934-1346openalex-snapshot
Ultralong C(sp3)–C(sp3) Single Bonds Shortened and Stabilized by London Dispersion
inferred← citeshttps://doi.org/10.1073/pnas.0912672107openalex-snapshot
A joint x-ray and neutron study on amicyanin reveals the role of protein dynamics in electron transfer
inferred← citeshttps://doi.org/10.1073/pnas.1911349117openalex-snapshot
On the evolution of protein–adenine binding
inferred← citeshttps://doi.org/10.1080/0144235x.2015.1022946openalex-snapshot
Nature and strength of sulfur-centred hydrogen bonds: laser spectroscopic investigations in the gas phase and quantum-chemical calculations
inferred← citeshttps://doi.org/10.1080/07391102.2012.10507412openalex-snapshot
Insights into Protein—DNA Interactions, Stability and Allosteric Communications: A Computational Study of Mutsα-DNA Recognition Complexes
inferred← citeshttps://doi.org/10.1080/07391102.2013.799437openalex-snapshot
Non-specificity and synergy at the binding site of the carboplatin-induced DNA adduct via molecular dynamics simulations of the MutSα–DNA recognition complex
inferred← citeshttps://doi.org/10.1080/07391102.2016.1276477openalex-snapshot
Computational analysis of BACE1-ligand complex crystal structures and linear discriminant analysis for identification of BACE1 inhibitors with anti P-glycoprotein binding property
inferred← citeshttps://doi.org/10.1080/07391102.2019.1617786openalex-snapshot
RNA targeting by an anthracycline drug: spectroscopic and in silico evaluation of epirubicin interaction with tRNA
inferred← citeshttps://doi.org/10.1080/07391102.2019.1691658openalex-snapshot
Crystallographic structure versus homology model: a case study of molecular dynamics simulation of human and zebrafish histone deacetylase 10
inferred← citeshttps://doi.org/10.1080/07391102.2022.2035819openalex-snapshot
Computational investigation of the alkaloids of Pilocarpus microphyllus species as phytopharmaceuticals for the inhibition of sterol 14α-demethylase protease of Trypanosoma cruzi
inferred← citeshttps://doi.org/10.1080/07391102.2023.2220036openalex-snapshot
Molecular modelling, docking and network analysis of phytochemicals from Haritaki churna: role of protein cross-talks for their action
inferred← citeshttps://doi.org/10.1080/07391102.2023.2234044openalex-snapshot
Examining sialic acid derivatives as potential inhibitors of SARS-CoV-2 spike protein receptor binding domain
inferred← citeshttps://doi.org/10.1080/07391102.2024.2310781openalex-snapshot
Attenuation of Type IV pili activity by natural products
inferred← citeshttps://doi.org/10.1080/07391102.2024.2331097openalex-snapshot
Computational identification of potential modulators of heme-regulated inhibitor (HRI) for pharmacological intervention against sickle cell disease
inferred← citeshttps://doi.org/10.1089/omi.2024.0128openalex-snapshot
Enriching Anticancer Drug Pipeline with Potential Inhibitors of Cyclin-Dependent Kinase-8 Identified from Natural Products
inferred← citeshttps://doi.org/10.1093/nar/gkn657openalex-snapshot
Transcription elongation past O6-methylguanine by human RNA polymerase II and bacteriophage T7 RNA polymerase
inferred← citeshttps://doi.org/10.1101/2024.12.19.629369openalex-snapshot
From Weak Interactions to Strong Affinity: Deciphering the Streptavidin-Biotin Interaction through NMR and Computational Analysis
inferred← citeshttps://doi.org/10.1107/s010876810800709xopenalex-snapshot
Hydrogen-bonding properties of galanthamine: an investigation through crystallographic database observations and computational chemistry
inferred← citeshttps://doi.org/10.1107/s160057671401468xopenalex-snapshot
MolBridge: a program for identifying nonbonded interactions in small molecules and biomolecular structures
inferred← citeshttps://doi.org/10.1107/s2053229617012761openalex-snapshot
Unexpected beauty and diversity in the structures of three homologous 4,5-dialkoxy-1-ethynyl-2-nitrobenzenes: the subtle interplay between intermolecular C—H...O hydrogen bonds and alkyl chain length
inferred← citeshttps://doi.org/10.1111/cbdd.13084openalex-snapshot
Aromatic interactions at the ligand–protein interface: Implications for the development of docking scoring functions
inferred← citeshttps://doi.org/10.1111/j.1742-4658.2008.06292.xopenalex-snapshot
Acetylcholinesterase from the invertebrate Ciona intestinalis is capable of assembling into asymmetric forms when co‐expressed with vertebrate collagenic tail peptide
inferred← citeshttps://doi.org/10.1111/j.1742-4658.2009.07515.xopenalex-snapshot
X‐ray crystallographic and NMR studies of pantothenate synthetase provide insights into the mechanism of homotropic inhibition by pantoate
inferred← citeshttps://doi.org/10.1111/j.1747-0285.2008.00642.xopenalex-snapshot
A Molecular Basis for Agonist and Antagonist Actions at GABAC Receptors
inferred← citeshttps://doi.org/10.1111/jfbc.13921openalex-snapshot
HIV‐1‐RT inhibition activity ofSatureja spicigera(C.KOCH) BOISS. Aqueous extract and docking studies of phenolic compounds identified by RP‐HPLC‐DAD
inferred← citeshttps://doi.org/10.1128/jvi.01799-25openalex-snapshot
Global evolution dynamics of genotype VI NDVs and dissection of the biological properties of strains from the prevalent sub-genotypes
inferred← citeshttps://doi.org/10.1142/9789812778789_0008openalex-snapshot
Methods to Characterize the Structure of Enzyme Binding Sites
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