P1343
AM1* parameters for phosphorus, sulfur and chlorineOn the possibility to accelerate the thermal isomerizations of overcrowded alkene-based rotary molecular motors with electron-donating or electron-withdrawing substituents.Optimization of parameters for semiempirical methods IV: extension of MNDO, AM1, and PM3 to more main group elementsA study on the interaction between 5-Methyluridine and human serum albumin using fluorescence quenching method and molecular modelingMolecular mass and location of the most abundant peak of the molecular ion isotopomeric clusterStructure-based 3D-QSAR studies on thiazoles as 5-HT3 receptor antagonistsAn overview of halogen bondingAlpha particle chemistry. On the formation of stable complexes between He2+ and other simple species: implications for atmospheric and interstellar chemistryPolymerization of chloro-p-xylylenes, quantum-chemical studyEffects of ionization on stability of 1-methylcytosine - DFT and PCM studiesThe nature of inter- and intramolecular interactions in F2OXe(…)HX (X= F, Cl, Br, I) complexesOptimization of parameters for semiempirical methods V: Modification of NDDO approximations and application to 70 elementsStructure-based characterization of the binding of peptide to the human endophilin-1 Src homology 3 domain using position-dependent noncovalent potential analysis.DFT study of the mechanism of the reaction of aminoguanidine with methylglyoxalComparative modeling of hypothetical amyloid pores based on cylindrin.Effect of the SH3-SH2 domain linker sequence on the structure of Hck kinase.Continuous metadynamics in essential coordinates as a tool for free energy modelling of conformational changes.Structural characterization of the catalytic domain of the human 5-lipoxygenase enzyme.Investigation of the effect of erythrosine B on amyloid beta peptide using molecular modeling.Density functional theory and molecular dynamics investigations on substituted banana-shaped compounds.Molecular dynamics simulations of the human CAR ligand-binding domain: deciphering the molecular basis for constitutive activity.Molecular dynamics studies on the aggregation of Y-shaped fluoroalkanes.Analysis of distributions of amino acids in the primary structure of tumor suppressor p53 family according to the random mechanism.Molecular dynamics simulation of human immunodeficiency virus protein U (Vpu) in lipid/water Langmuir monolayer.Structural and functional characterization of the human CCR5 receptor in complex with HIV gp120 envelope glycoprotein and CD4 receptor by molecular modeling studies.Functional prediction of a T-DNA tagged gene of Arabidopsis thaliana by in silico analysis.Comparison between Generalized-Born and Poisson-Boltzmann methods in physics-based scoring functions for protein structure prediction.Study on improving the selectivity of compounds that inhibit two PI3Ks (gamma and delta).Molecular modeling of the effects of mutant alleles on chalcone synthase protein structure.Conformational flexibility of the leucine binding protein examined by protein domain coarse-grained molecular dynamics.Structure of Patt1 human proapoptotic histone acetyltransferaseParallel implementation of 3D protein structure similarity searches using a GPU and the CUDA.Localization of ligand binding site in proteins identified in silico.Electronic polarization stabilizes tertiary structure prediction of HP-36.Mutatomics analysis of the systematic thermostability profile of Bacillus subtilis lipase A.Effect of explicit water molecules on ligand-binding affinities calculated with the MM/GBSA approach.Improved hybrid optimization algorithm for 3D protein structure prediction.Computational approaches for evaluating the effect of sequence variations and the intrinsically disordered C-terminal region of the Helicobacter pylori CagA protein on the interaction with tyrosine kinase Src.Protein modeling and molecular dynamics simulation of the two novel surfactant proteins SP-G and SP-H.Toward the virtual screening of Cdc25A phosphatase inhibitors with the homology modeled protein structure.
P1433
Q27022478-9715CA5A-62DC-4B30-949A-61EF6BBBD506Q27319541-D0E88CBE-5171-4077-B79B-B580694803DDQ28248081-E63BF9F9-1F51-4486-9F42-C9D88924B466Q28251340-2047236A-575B-4DF7-B1AF-7F570647CE42Q28253994-8F8E56BB-142D-48D9-AE8A-3F6332511AA1Q28261958-6EA31DE5-8E93-4E53-AC8C-C2375647122BQ28266340-7DC5F41E-C149-4EEE-B1AD-1019B2717B0DQ28298005-39E36664-3225-4916-A2FD-995073B34250Q28818317-01692C14-FAEE-409F-9DDB-517B3597FC2BQ28829169-BBBE28DE-1CEB-4450-BCBB-E6D88D7996B4Q28833587-DAD0AA12-6FDB-44A3-B477-928C5407E6ABQ29542571-EDC8AA25-5D29-4CF4-928D-2CFA8F8E3DFBQ30010234-54341F88-743E-4B1B-8AAB-75F845C99DCFQ30013723-F5118D92-DF3D-4ED0-A3D0-4DCA98254E4CQ30152927-93BA7EC4-FBDD-44C1-9CB2-187C0B780765Q30155944-A4C5C927-C4B5-4E83-95C7-D94F0D072258Q30157634-382A78C4-F148-480C-A709-E77283E1466DQ30165315-EB9F05EE-8AD2-47A9-A8A7-51E68A040466Q30277081-E365EFD1-6042-4EEB-806A-EE4815F41665Q30319814-C76369B6-94F3-425C-8FCA-5EEE23D56A33Q30320316-7F4352D3-FB6F-4DCE-908D-6450C68783F6Q30320758-5CE042EF-A836-49F3-AAB6-B02C72D2DBA5Q30331163-0A0C4808-6226-4D89-938C-2DC7535CD7DCQ30332722-B25BE50A-2DBD-479E-B25F-A0ADAB913ABAQ30336122-8EC1D874-47C5-430A-829B-DD70DC6CF791Q30336447-DA541633-2AB3-41FE-94B6-319E07AC0262Q30351224-EBE65073-D356-4174-BC71-1A9A9A1D24A4Q30352505-FC53BA31-E527-495F-A91D-FCC3451D4CAAQ30353597-F9978838-DD0D-4638-A70E-81F408A35005Q30353714-E888E715-7BB1-4E05-9C98-41B837A1D5BDQ30355728-C5C012BD-3FA5-431C-B4AC-F394826DD066Q30358528-F07962E2-D462-4EF4-AC16-CA71D7E0791FQ30360755-571615C3-20EE-4332-AE1B-0F69B8E26EBAQ30361195-DD744D1D-47D6-4390-8B75-7BC3D24622C4Q30362557-AB834BA5-2E34-4E29-AE7C-82E566A29ACCQ30362956-B6E30EF2-9BD9-4D96-A009-1FAE821F6B59Q30365197-24C6328C-CF9D-4F48-94DE-A039E14FE06BQ30365619-36307380-8F1D-4503-9FAD-063B7BF6B90AQ30368513-BB189167-5F2C-432A-B254-17537437BF0EQ30369585-7AF94C7B-3587-4143-98BA-D1C8D90BEB18
P1433
description
Wissenschaftliche Fachzeitschrift
@de
journal
@en
revista científica
@es
rivista scientifica
@it
vědecký časopis
@cs
wetenschappelijk tijdschrift van Springer Science+Business Media
@nl
مجلة
@ar
वैज्ञानिक पत्रिका
@hi
英语期刊
@zh
name
Journal of Molecular Modeling
@ast
Journal of Molecular Modeling
@da
Journal of Molecular Modeling
@de
Journal of Molecular Modeling
@en
Journal of Molecular Modeling
@es
Journal of Molecular Modeling
@fi
Journal of Molecular Modeling
@fr
Journal of Molecular Modeling
@it
Journal of Molecular Modeling
@nb
Journal of Molecular Modeling
@nl
type
label
Journal of Molecular Modeling
@ast
Journal of Molecular Modeling
@da
Journal of Molecular Modeling
@de
Journal of Molecular Modeling
@en
Journal of Molecular Modeling
@es
Journal of Molecular Modeling
@fi
Journal of Molecular Modeling
@fr
Journal of Molecular Modeling
@it
Journal of Molecular Modeling
@nb
Journal of Molecular Modeling
@nl
prefLabel
Journal of Molecular Modeling
@ast
Journal of Molecular Modeling
@da
Journal of Molecular Modeling
@de
Journal of Molecular Modeling
@en
Journal of Molecular Modeling
@es
Journal of Molecular Modeling
@fi
Journal of Molecular Modeling
@fr
Journal of Molecular Modeling
@it
Journal of Molecular Modeling
@nb
Journal of Molecular Modeling
@nl
P3181
P4616
P1055
P1058
P1156
P1159
P1277
P1476
Journal of Molecular Modeling
@en