scholarly article | Q13442814 |
P8978 | DBLP publication ID | journals/jcc/ExnerKB02 |
P356 | DOI | 10.1002/JCC.10086 |
P698 | PubMed publication ID | 12116387 |
P5875 | ResearchGate publication ID | 11263112 |
P2093 | author name string | Matthias Keil | |
Thomas E Exner | |||
Jürgen Brickmann | |||
P2860 | cites work | Analytical molecular surface calculation | Q22757983 |
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A computational procedure for determining energetically favorable binding sites on biologically important macromolecules | Q30406755 | ||
A geometric approach to macromolecule-ligand interactions | Q34280176 | ||
The development of a simple empirical scoring function to estimate the binding constant for a protein-ligand complex of known three-dimensional structure | Q34326042 | ||
Electrostatic interactions in macromolecules: theory and applications | Q37938174 | ||
Molecular docking towards drug discovery | Q40947235 | ||
Hausdorff dimension as a quantification of local roughness of protein surfaces | Q43603947 | ||
LUDI: rule-based automatic design of new substituents for enzyme inhibitor leads | Q44114180 | ||
A multiple-start Monte Carlo docking method. | Q44677796 | ||
Similarity of molecular shape | Q44684389 | ||
Family of G protein alpha chains: amphipathic analysis and predicted structure of functional domains | Q44991882 | ||
Using shape complementarity as an initial screen in designing ligands for a receptor binding site of known three-dimensional structure. | Q46036230 | ||
Shape analysis of molecular surfaces | Q46311821 | ||
Finite-difference solution of the Poisson-Boltzmann equation: Complete elimination of self-energy | Q46481303 | ||
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Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragmental Methods: An Analysis of ALOGP and CLOGP Methods | Q51468105 | ||
Docking of hydrophobic ligands with interaction-based matching algorithms. | Q51646570 | ||
Pattern recognition strategies for molecular surfaces. II. Surface complementarity. | Q52036785 | ||
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Shape distributions of protein topography | Q52415312 | ||
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CHARMM: A program for macromolecular energy, minimization, and dynamics calculations | Q53340989 | ||
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Einfluss der Configuration auf die Wirkung der Enzyme | Q54043782 | ||
Fractal surfaces of proteins. | Q54106816 | ||
Atomic Physicochemical Parameters for Three-Dimensional Structure-Directed Quantitative Structure-Activity Relationships I. Partition Coefficients as a Measure of Hydrophobicity | Q56431663 | ||
The Mechanism of Hydrophobic Solvation Depends on Solute Radius | Q56880430 | ||
Molecular fractal surfaces | Q59059325 | ||
Calculation of electrostatic potentials in an enzyme active site | Q59067672 | ||
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 ... | Q108523054 | ||
P433 | issue | 12 | |
P921 | main subject | pattern recognition | Q378859 |
P1104 | number of pages | 12 | |
P304 | page(s) | 1176-1187 | |
P577 | publication date | 2002-09-01 | |
P1433 | published in | Journal of Computational Chemistry | Q3186908 |
P1476 | title | Pattern recognition strategies for molecular surfaces. I. Pattern generation using fuzzy set theory. | |
P478 | volume | 23 |
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Q52036785 | Pattern recognition strategies for molecular surfaces. II. Surface complementarity. |
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