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A new approach to analysis and display of local lipophilicity/hydrophilicity mapped on molecular surfaces
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Outgoing claims: the papers this work cites, builds on, or argues with.
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Atomic Physicochemical Parameters for Three‐Dimensional Structure‐Directed Quantitative Structure‐Activity Relationships I. Partition Coefficients as a Measure of Hydrophobicity
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Atomic physicochemical parameters for three dimensional structure directed quantitative structure‐activity relationships III: Modeling hydrophobic interactions
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Substituent Constants for Correlation Analysis in Chemistry and Biology.
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Evolution of the Structural Representation of Sucrose [1]
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Triangulation algorithms for the representation of molecular surface properties
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Automatic log P estimation based on combined additive modeling methods
inferredcites →https://doi.org/10.1016/0014-5793(81)80071-3openalex-snapshot
The Hydrophobic Effect: Formation of Micelles and Biological Membranes
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The interpretation of protein structures: Estimation of static accessibility
inferredcites →https://doi.org/10.1016/0263-7855(84)80021-1openalex-snapshot
Display of quantum mechanical properties on van der Waals surfaces
inferredcites →https://doi.org/10.1016/0263-7855(90)80056-lopenalex-snapshot
Lipophilicity force field profile: An expressive visualization of the lipophilicity molecular potential gradient
inferredcites →https://doi.org/10.1016/0263-7855(92)80070-topenalex-snapshot
KEY, LOCK, and LOCKSMITH: Complementary hydropathic map predictions of drug structure from a known receptor-receptor structure from known drugs
inferredcites →https://doi.org/10.1016/0300-9084(92)90014-6openalex-snapshot
Molecular recognition mechanisms
inferredcites →https://doi.org/10.1016/s0021-9258(18)98524-8openalex-snapshot
Differentiation of lipid-associating helices by use of three-dimensional molecular hydrophobicity potential calculations
inferredcites →https://doi.org/10.1016/s0065-3233(08)60608-7openalex-snapshot
Some Factors in the Interpretation of Protein Denaturation
inferredcites →https://doi.org/10.1016/s0263-7855(98)80001-5openalex-snapshot
3D molecular lipophilicity potential profiles: a new tool in molecular modeling
inferredcites →https://doi.org/10.1016/s0263-7855(98)80004-0openalex-snapshot
Estimating and representing hydrophobicity potential
inferredcites →https://doi.org/10.1021/ci00063a006openalex-snapshot
Atomic physicochemical parameters for three dimensional structure directed quantitative structure-activity relationships. 4. Additional parameters for hydrophobic and dispersive interactions and their application for an automated superposition of certain naturally occurring nucleoside antibiotics
inferredcites →https://doi.org/10.1021/ja01077a028openalex-snapshot
A New Substituent Constant, π, Derived from Partition Coefficients
inferredcites →https://doi.org/10.1038/299371a0openalex-snapshot
The helical hydrophobic moment: a measure of the amphiphilicity of a helix
inferredcites →https://doi.org/10.1038/319199a0openalex-snapshot
Solvation energy in protein folding and binding
inferredcites →https://doi.org/10.1126/science.6879170openalex-snapshot
Solvent-Accessible Surfaces of Proteins and Nucleic Acids
inferredcites →https://doi.org/10.1515/9783110860931openalex-snapshot
Statistische Physik und Theorie der Wärme
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inferred← citeshttps://doi.org/10.1023/a:1016024005429openalex-snapshot
Lipophilicity in Molecular Modeling
inferred← citeshttps://doi.org/10.1023/a:1018832810105openalex-snapshot
Production and Characterization of 22 Monoclonal Antibodies Directed Against S 20499, a New Potent 5-HT1A Chiral Agonist: Influence of the Hapten Structure on Specificity and Stereorecognition
inferred← citeshttps://doi.org/10.1023/a:1020784004649openalex-snapshot
A General Analysis of Field-Based Molecular Similarity Indices
inferred← citeshttps://doi.org/10.1023/a:1026125706388openalex-snapshot
Evaluation of extended parameter sets for the 3D-QSAR technique MaP: Implications for interpretability and model quality exemplified by antimalarially active naphthylisoquinoline alkaloids
inferred← citeshttps://doi.org/10.1034/j.1399-3011.2000.00757.xopenalex-snapshot
The active site of drosomycin, a small insect antifungal protein, delineated by comparison with the modeled structure of Rs‐AFP2, a plant antifungal protein
inferred← citeshttps://doi.org/10.1034/j.1399-3011.2003.21039.xopenalex-snapshot
Peptides corresponding to the N‐ and C‐terminal parts of PEBP are well‐structured in solution: new insights into their possible interaction with partners in vivo
inferred← citeshttps://doi.org/10.1038/s41598-025-13527-wopenalex-snapshot
Prediction of aggregation in monoclonal antibodies from molecular surface curvature
inferred← citeshttps://doi.org/10.1038/s42004-025-01472-8openalex-snapshot
A quantitative analysis of ligand binding at the protein-lipid bilayer interface
inferred← citeshttps://doi.org/10.1038/srep01660openalex-snapshot
Aggregated Gas Molecules: Toxic to Protein?
inferred← citeshttps://doi.org/10.1039/b610745aopenalex-snapshot
Evaluation of the carbohydrate recognition domain of the bacterial adhesin FimH: design, synthesis and binding properties of mannoside ligands
inferred← citeshttps://doi.org/10.1039/d3cp02096gopenalex-snapshot
Preferred microenvironments of halogen bonds and hydrogen bonds revealed using statistics and QM/MM calculation studies
inferred← citeshttps://doi.org/10.1046/j.0014-2956.2002.02751.xopenalex-snapshot
SMAP‐29 has two LPS‐binding sites and a central hinge
inferred← citeshttps://doi.org/10.1051/analusis:1999270015openalex-snapshot
The Molecular Free Energy Surface Density (MOLFESD). Approach for a quantitative treatment of hydrophobicity
inferred← citeshttps://doi.org/10.1074/jbc.m011469200openalex-snapshot
Structural Basis for Pterin Antagonism in Nitric-oxide Synthase
inferred← citeshttps://doi.org/10.1074/jbc.m101808200openalex-snapshot
Design, Engineering, and Production of Human Recombinant T Cell Receptor Ligands Derived from Human Leukocyte Antigen DR2
inferred← citeshttps://doi.org/10.1074/jbc.m106504200openalex-snapshot
Metabolism of Sucrose and Its Five Linkage-isomeric α-d-Glucosyl-d-fructoses by Klebsiella pneumoniae
inferred← citeshttps://doi.org/10.1074/jbc.m111.320010openalex-snapshot
Molecular Basis for Failure of “Atypical” C1 Domain of Vav1 to Bind Diacylglycerol/Phorbol Ester
inferred← citeshttps://doi.org/10.1074/jbc.m312912200openalex-snapshot
Jararhagin-derived RKKH Peptides Induce Structural Changes in α1I Domain of Human Integrin α1β1
inferred← citeshttps://doi.org/10.1074/jbc.m901993200openalex-snapshot
Solution Structure of Factor I-like Modules from Complement C7 Reveals a Pair of Follistatin Domains in Compact Pseudosymmetric Arrangement
inferred← citeshttps://doi.org/10.1080/08927020008022382openalex-snapshot
Cytochrome P450 52A3: Modelling of 3D Structure and Surface Mutations
inferred← citeshttps://doi.org/10.1080/19420862.2025.2474521openalex-snapshot
PROPERMAB: an integrative framework for in silico prediction of antibody developability using machine learning
inferred← citeshttps://doi.org/10.1093/emboj/cdf602openalex-snapshot
Dynamic interaction of CD2 with the GYF and the SH3 domain of compartmentalized effector molecules
inferred← citeshttps://doi.org/10.1093/glycob/cwj116openalex-snapshot
Design of new benzoxazole-2-thione-derived inhibitors of Streptococcus pneumoniae hyaluronan lyase: structure of a complex with a 2-phenylindole
inferred← citeshttps://doi.org/10.1093/intimm/10.12.1753openalex-snapshot
Molecular modeling of hen egg lysozyme HEL[52-61] peptide binding to I-Ak MHC class II molecule.
inferred← citeshttps://doi.org/10.1093/nar/gkp1144openalex-snapshot
The structure of the KlcA and ArdB proteins reveals a novel fold and antirestriction activity against Type I DNA restriction systems in vivo but not in vitro
inferred← citeshttps://doi.org/10.1093/protein/gzi039openalex-snapshot
Large-scale modelling as a route to multiple surface comparisons of the CCP module family
inferred← citeshttps://doi.org/10.1109/hicss.1995.375329openalex-snapshot
New man-machine communication strategies in molecular modelling
inferred← citeshttps://doi.org/10.1111/1556-4029.15324openalex-snapshot
Lipophilicity of fentalogs: Comparison of experimental and computationally derived data
inferred← citeshttps://doi.org/10.1111/j.1471-4159.2007.04473.xopenalex-snapshot
Topological analysis of the complex formed between neurokinin A and the NK2 tachykinin receptor
inferred← citeshttps://doi.org/10.1124/jpet.110.174219openalex-snapshot
Bis-Halogen-Anthraniloyl-Substituted Nucleoside 5′-Triphosphates as Potent and Selective Inhibitors of Bordetella pertussis Adenylyl Cyclase Toxin
inferred← citeshttps://doi.org/10.1124/mol.107.034413openalex-snapshot
Molecular Analysis of the Interaction of Bordetella pertussis Adenylyl Cyclase with Fluorescent Nucleotides
inferred← citeshttps://doi.org/10.1124/mol.113.091017openalex-snapshot
Structure/Activity Relationships of (M)ANT- and TNP-Nucleotides for Inhibition of Rat Soluble Guanylyl Cyclase α1β1
inferred← citeshttps://doi.org/10.1128/aac.01075-09openalex-snapshot
Impact of Y143 HIV-1 Integrase Mutations on Resistance to Raltegravir In Vitro and In Vivo
inferred← citeshttps://doi.org/10.1134/s1068162010040023openalex-snapshot
Molecular docking: The role of noncovalent interactions in the formation of protein-nucleotide and protein-peptide complexes
inferred← citeshttps://doi.org/10.1140/epje/s10189-023-00320-8openalex-snapshot
How hydrophobicity shapes the architecture of protein assemblies
inferred← citeshttps://doi.org/10.11606/t.46.2018.tde-24082018-104659openalex-snapshot
Efeito de aldeídos de colesterol na esclerose lateral amiotrófica: estudo em modelo animal e na agregação da SOD1 in vitro
inferred← citeshttps://doi.org/10.1186/1471-2105-10-32openalex-snapshot
VASCo: computation and visualization of annotated protein surface contacts
inferred← citeshttps://doi.org/10.1186/1471-2105-13-s4-s16openalex-snapshot
Intuitive representation of surface properties of biomolecules using BioBlender
inferred← citeshttps://doi.org/10.1186/s13321-019-0329-8openalex-snapshot
Universal nanohydrophobicity predictions using virtual nanoparticle library
inferred← citeshttps://doi.org/10.1208/aapsj080125openalex-snapshot
Selectivity and potency of cyclin-dependent kinase inhibitors
inferred← citeshttps://doi.org/10.1242/jcs.211748openalex-snapshot
Characterization of a novel RP2–OSTF1 interaction and its implication for actin remodelling
inferred← citeshttps://doi.org/10.1248/bpb.b22-00263openalex-snapshot
Estimation of the Viscosity of an Antibody Solution from the Diffusion Interaction Parameter
inferred← citeshttps://doi.org/10.1371/journal.pone.0006315openalex-snapshot
Structural Models of Human eEF1A1 and eEF1A2 Reveal Two Distinct Surface Clusters of Sequence Variation and Potential Differences in Phosphorylation
inferred← citeshttps://doi.org/10.1515/ntrev-2022-0530openalex-snapshot
Research progress and prospect of silica-based polymer nanofluids in enhanced oil recovery
inferred← citeshttps://doi.org/10.1529/biophysj.104.044180openalex-snapshot
A Model of the Putative Pore Region of the Cardiac Ryanodine Receptor Channel
inferred← citeshttps://doi.org/10.2174/0929867322666141128163215openalex-snapshot
Key Sites for P2X Receptor Function and Multimerization: Overview of Mutagenesis Studies on a Structural Basis
inferred← citeshttps://doi.org/10.26083/tuprints-00000049openalex-snapshot
Computergestützte Strukturbestimmung biochemischer Komplexe durch einen Fuzzy Logic-basierten Algorithmus
inferred← citeshttps://doi.org/10.26599/pbm.2018.9260014openalex-snapshot
Reaction Characteristics of Polysaccharide-Iodine Complexes: A Mini-review
inferred← citeshttps://doi.org/10.3389/fmolb.2022.960194openalex-snapshot
Comparison of hydrophobicity scales for predicting biophysical properties of antibodies
inferred← citeshttps://doi.org/10.3389/fmolb.2023.1110567openalex-snapshot
Quantitative comparison of protein-protein interaction interface using physicochemical feature-based descriptors of surface patches
inferred← citeshttps://doi.org/10.3390/91201053openalex-snapshot
Molecular van der Waals Space and Topological Indices from the Distance Matrix
inferred← citeshttps://doi.org/10.4018/ijqspr.2019070101openalex-snapshot
Significance of Molecular Surfaces and Different Visualization Tools in Drug Designing
inferred← citeshttps://doi.org/10.4049/jimmunol.167.8.4386openalex-snapshot
Rudimentary TCR Signaling Triggers Default IL-10 Secretion by Human Th1 Cells
inferred← citeshttps://doi.org/10.5283/epub.12313openalex-snapshot
Molecular analysis of mammalian adenylyl cyclases and bacterial adenylyl cyclase toxins
inferred← citeshttps://doi.org/10.7282/t3bz69ncopenalex-snapshot
From QSAR to QNAR, developing enhanced models for drug discovery
Editorial review for independent work. ICSAC — the Institute for Complexity
Science and Advanced Computing — runs a structured editorial panel for researchers
publishing outside journals, and publishes on CiteStamp rails. Submission is free
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