Hydrogen bonds: relation between lengths and electron densities at bond critical points

T.-H. Tang, Eugen Deretey, Svend J. Knak Jensen, +1

The European Physical Journal D

EngineeringBond Critical PointsPhysicsHydrogen TransitionNatural Sciences +9

An ab initio computational study on selected lycopene isomers

Gregory A. Chass, M.L. Mak, Eugen Deretey, +8

Journal of Molecular Structure THEOCHEM

EngineeringOrganic ChemistryComputational ChemistryChemistryHeterocycle Chemistry +1

α- and 3₁₀-Helix Interconversion:  A Quantum-Chemical Study on Polyalanine Systems in the Gas Phase and in Aqueous Solvent

Igor A. Topol, Stanley K. Burt, Eugen Deretey, +4

Journal of the American Chemical Society

ChemistryAnalytical UltracentrifugationSpectra-structure CorrelationProtein FoldingMacromolecular Assemblies +16

Peptide and protein folding

Ana M. Rodrı́guez, M.L. Mak, Eugen Deretey, +4

Journal of Molecular Structure THEOCHEM

Protein FoldingPeptide EngineeringPeptide LibraryMolecular BiologyProtein Refolding

Global Kinase Screening. Applications of Frontal Affinity Chromatography Coupled to Mass Spectrometry in Drug Discovery

Jacek J. Slon‐Usakiewicz, Jin‐Rui Dai, William Ng, +6

Analytical Chemistry

Drug TargetHit IdentificationMass Spectrometry DetectionBiological Mass SpectrometryMolecular Biology +21

Frontal Affinity Chromatography with MS Detection of EphB2 Tyrosine Kinase Receptor. 2. Identification of Small-Molecule Inhibitors via Coupling with Virtual Screening

Leticia Toledo‐Sherman, Eugen Deretey, Jacek J. Slon‐Usakiewicz, +8

Journal of Medicinal Chemistry

Drug TargetHit IdentificationMass Spectrometry DetectionSmall-molecule InhibitorsMedicinal Chemistry +16

Prospects in computational molecular medicine: a millennial mega-project on peptide folding

M.A. Berg, Eugen Deretey, Anna K. Füzéry, +18

Journal of Molecular Structure THEOCHEM

Computational Molecular MedicineMillennial Mega-projectProtein FoldingPeptide FoldingPeptide Library +8

BHB:  A Simple Knowledge-Based Scoring Function to Improve the Efficiency of Database Screening

Miklós Fehér, Eugen Deretey, Samir Roy

Journal of Chemical Information and Computer Sciences

EngineeringBusiness IntelligenceMolecular BiologyComputational ChemistryInformation Retrieval +23

Structural analysis of flavonoids with anti-HIV activity

Athena Mantas, Eugen Deretey, F.H. Ferretti, +2

Journal of Molecular Structure THEOCHEM

Medicinal ChemistryBiochemistryMedicineNatural SciencesAntiviral Drug Development +6

Multiconformational Minimal Steric Difference. Structure‐Acetylcholinesterase Hydrolysis Rates Relations for Acetic Acid Esters

Dan Ciubotariu, Eugen Deretey, Tudor I. Oprea, +4

Quantitative Structure-Activity Relationships

Acetic Acid EstersBiosynthesisMulticonformational Mtd MethodEngineeringBiochemistry +13