Determination of normal boiling vaporization enthalpy using a new molecular-based modelGHARAGHEIZI, Farhad.Fluid phase equilibria. 2012, Vol 317, pp 43-51, issn 0378-3812, 9 p.Article

Synthesis, vasorelaxant activity, and molecular modeling study of some new phthalazine derivativesAWADALLAH, Fadi M; EL-ERAKY, Wafaa I; SALEH, Dalia O et al.European journal of medicinal chemistry. 2012, Vol 52, pp 14-21, issn 0223-5234, 8 p.Article

Synthesis, biological evaluation and molecular modeling of 4,6-diarylpyrimidines and diarylbenzenes as novel non-nucleosides HIV-1 reverse transcriptase inhibitorsRIBONE, Sergio R; LEEN, Volker; MADRID, Marcela et al.European journal of medicinal chemistry. 2012, Vol 58, pp 485-492, issn 0223-5234, 8 p.Article

Novel cinnamic acid/4-aminoquinoline conjugates bearing non-proteinogenic amino acids: Towards the development of potential dual action antimalarialsPEREZ, Bianca C; TEIXEIRA, Catia; FIGUEIRAS, Marta et al.European journal of medicinal chemistry. 2012, Vol 54, pp 887-899, issn 0223-5234, 13 p.Article

Synthesis and biological evaluation of combretastatin-amidobenzothiazole conjugates as potential anticancer agentsKAMAL, Ahmed; MALLAREDDY, Adla; PAL-BHADRA, Manika et al.European journal of medicinal chemistry. 2012, Vol 56, pp 166-178, issn 0223-5234, 13 p.Article

Investigation of the interaction between amodiaquine and human serum albumin by fluorescence spectroscopy and molecular modelingSAMARI, Fayezeh; SHAMSIPUR, Mojtaba; HEMMATEENEJAD, Bahram et al.European journal of medicinal chemistry. 2012, Vol 54, pp 255-263, issn 0223-5234, 9 p.Article

Synthesis, design and biological evaluation of novel highly potent tacrine congeners for the treatment of Alzheimer's diseaseHAMULAKOVA, Slavka; JANOVEC, Ladislav; HRABINOVA, Martina et al.European journal of medicinal chemistry. 2012, Vol 55, pp 23-31, issn 0223-5234, 9 p.Article

Identification of first proadrenomedullin N-terminal 20 peptide (PAMP) modulator by means of virtual screening and NMR interaction experimentsROLDOS, Virginia; CARBAJO, Rodrigo J; SCHOTT, Anne-Kathrin et al.European journal of medicinal chemistry. 2012, Vol 55, pp 262-272, issn 0223-5234, 11 p.Article

3,6-Bis(3-alkylguanidino)acridines as DNA-intercalating antitumor agentsPLSIKOVA, Jana; JANOVEC, Ladislav; BRABEC, Viktor et al.European journal of medicinal chemistry. 2012, Vol 57, pp 283-295, issn 0223-5234, 13 p.Article

Pyridonepezils, new dual AChE inhibitors as potential drugs for the treatment of Alzheimer's disease: Synthesis, biological assessment, and molecular modelingSAMADI, Abdelouahid; ESTRADA, Martin; PEREZ, Concepción et al.European journal of medicinal chemistry. 2012, Vol 57, pp 296-301, issn 0223-5234, 6 p.Article

Glucocorticoid receptor interactions with glucocorticoids: evaluation by molecular modeling and functional analysis of glucocorticoid receptor mutantsHAMMER, Stefanie; SPIKA, Irina; SIPPL, Wolfgang et al.Steroids. 2003, Vol 68, Num 4, pp 329-339, issn 0039-128X, 11 p.Article

Synthesis, in vitro binding studies and docking of long-chain arylpiperazine nitroquipazine analogues, as potential serotonin transporter inhibitorsJARONCZYK, Małgorzata; WOLOSEWICZ, Karol; CHILMONCZYK, Zdzisław et al.European journal of medicinal chemistry. 2012, Vol 49, pp 200-210, issn 0223-5234, 11 p.Article

Fluid phase behavior from molecular simulation: Hydrazine, Monomethylhydrazine, Dimethylhydrazine and binary mixtures containing these compoundsELTS, Ekaterina; WINDMANN, Thorsten; STAAK, Daniel et al.Fluid phase equilibria. 2012, Vol 322-323, pp 79-91, issn 0378-3812, 13 p.Article

Molecular modeling and pharmacological analysis of species-related histamine H₃ receptor heterogeneityYAO, B. B; HUTCHINS, C. W; CARR, T. L et al.Neuropharmacology. 2003, Vol 44, Num 6, pp 773-786, issn 0028-3908, 14 p.Article

Multipotent MAO and cholinesterase inhibitors for the treatment of Alzheimer's disease: Synthesis, pharmacological analysis and molecular modeling of heterocyclic substituted alkyl and cycloalkyl propargyl amineSAMADI, Abdelouahid; DE LOS RIOS, Cristóbal; UNZETA, Mercedes et al.European journal of medicinal chemistry. 2012, Vol 52, pp 251-262, issn 0223-5234, 12 p.Article

Dopamine release and molecular modeling study of some coumarin derivativesABDELHAFEZ, Omaima M; AMIN, Kamelia M; ALI, Hamed I et al.Neurochemistry international. 2011, Vol 59, Num 6, pp 906-912, issn 0197-0186, 7 p.Article

Molecular modeling of the standard state heat of formationBAGHERI, Mehdi; YERRAMSETTY, Krishna; GASEM, Khaled A. M et al.Energy conversion and management. 2013, Vol 65, pp 587-596, issn 0196-8904, 10 p.Article

Integrating molecular modeling and process safety researchSARAF, S. R; ROGERS, W. J; FORD, D. M et al.Fluid phase equilibria. 2004, Vol 222-23, pp 205-211, issn 0378-3812, 7 p.Conference Paper

Aqueous two-phase affinity partitioning of penicillin acylase from E. coli in presence of PEG-derivativesGAVASANE, Mahesh R; GAIKAR, Vilas G.Enzyme and microbial technology. 2003, Vol 32, Num 6, pp 665-675, issn 0141-0229, 11 p.Article

Two-dimensional self-assembly and complementary base-pairing between amphiphile nucleotides on graphiteBESTEL, Isabelle; CAMPINS, Nathalie; MARCHENKO, Alexandr et al.Journal of colloid and interface science. 2008, Vol 323, Num 2, pp 435-440, issn 0021-9797, 6 p.Article

A molecular modeling approach to understand conformation—functionality relationships of galactomannans with different mannose/galactose ratiosWU, Y; LI, W; CUI, W et al.Food hydrocolloids. 2012, Vol 26, Num 2, pp 359-364, issn 0268-005X, 6 p.Conference Paper

Structural studies on 26RFa, a novel human RFamide-related peptide with orexigenic activityTHUAU, Romain; GUILHAUDIS, Laure; SEGALAS-MILAZZO, Isabelle et al.Peptides (New York, NY. 1980). 2005, Vol 26, Num 5, pp 779-789, issn 0196-9781, 11 p.Article

Toward the computer-aided design of metal ion sequestering agentsHAY, Benjamin P; FIRMAN, Timothy K; LUMETTA, Gregg J et al.Journal of alloys and compounds. 2004, Vol 374, pp 416-419, issn 0925-8388, 4 p.Conference Paper

Calorimetric and molecular modeling studies of N-alkoxycarbonylmethyl-N-alkyl-piperidinium chloridesROGYCKA-ROSZAK, Bozenna; MISIAK, Pawel; WOGNIAK, Edyta et al.Colloids and surfaces. A, Physicochemical and engineering aspects. 2008, Vol 318, Num 1-3, pp 301-306, issn 0927-7757, 6 p.Article

The cellulose/lignin assembly assessed by molecular modeling. Part 2: seeking for evidence of organization of lignin molecules at the interface with celluloseBESOMBES, Stéphane; MAZEAU, Karim.Plant physiology and biochemistry (Paris). 2005, Vol 43, Num 3, pp 277-286, issn 0981-9428, 10 p.Article