137. Simcic M, Sosic I, Hodoscek M, Barreteau H, Blanot D, Gobec S,
      Grdadolnik SG, "The Binding Mode of Second-Generation
      Sulfonamide Inhibitors of MurD: Clues for Rational Design of
      Potent MurD Inhibitors", PLOS ONE, 2012, Vol 7, Art Num e52817.

 136. Tao P, Hodoscek M, Larkin JD, Shao YH, Brooks BR, "Comparison of
      Three Chain-of-States Methods: Nudged Elastic Band and Replica
      Path with Restraints or Constraints", J. Chem. Theo. and Comp.,
      2012, Vol 8, 5035-5051.

 135. Wu XW, Hodoscek M, Brooks, BR, "Replica exchanging self-guided
      Langevin dynamics for efficient and accurate conformational
      sampling", J. Chem. Phys., 137 (4), 2012, Art Num 044106.

 134. Carl N, Hodoscek M, Vehar B, Konc J, Brooks BR, Janezic D,
      "Correlating Protein Hot Spot Surface Analysis Using ProBiS with
      Simulated Free Energies of Protein-Protein Interfacial Residues",
      J. Chem. Inf. And Modeling, 2012, Vol. 52, 2541-2549.

 133. Butala M, Sonjak S, Kamensek S, Hodoscek M, Browning DF,
      Zgur-Bertok D, Busby SJW,"Double locking of an Escherichia coli
      promoter by two repressors prevents premature colicin expression
      and cell lysis", Molecular Microbiology, 2012, Vol 86, 129-139.


 132. Bevc S, Konc J, Stojan J, Hodoscek M, Penca M, Praprotnik M,
      Janezic D, "ENZO: A Web Tool for Derivation and Evaluation of
      Kinetic Models of Enzyme Catalyzed Reactions", PLOS ONE, 2011,
      Vol 6, Art Num e22265.

 131. Mavromoustakos T, Durdagi S, Koukoulitsa C, Simcic M,
      Papadopoulos MG, Hodoscek M, Grdadolnik SG, "Strategies in the
      Rational Drug Design", Current Medicinal Chemistry, 2011, Vol
      18, 2517-2530.

 130. Woodcock HL, Miller BT, Hodoscek M, Okur A, Larkin JD, Ponder
      JW, Brooks BR, "MSCALE: A General Utility for Multiscale
      Modeling", J. Chem. Theo. and Comp., 2011, Vol 7, 1208-1219.


 129. Lee YS, Hodoscek M, Chun JH, Pike VW,"Conformational Structure
      and Energetics of 2-Methylphenyl(2 '-methoxyphenyl)iodonium
      Chloride: Evidence for Solution Clusters", Chemistry-A European
      Journal, Vol. 16, 10418-10423, 2010.


 128. Zidar, J; Merzel, F; Hodoscek, M; Rebolj, K; Sepcic, K; Macek,
      P; Janezic, D; "Liquid-Ordered Phase Formation in
      Cholesterol/Sphingomyelin Bilayers: All-Atom Molecular Dynamics
      Simulations", J. Phys. Chem. B, 2009, Vol. 113, 15795-15802.

 127. Jiang, W; Hodoscek, M; Roux, B; "Computation of Absolute
      Hydration and Binding Free Energy with Free Energy Perturbation
      Distributed Replica-Exchange Molecular Dynamics",
      J. Chem. Theo. and Comp., 2009, Vol. 5, 2583-2588.

 126. Brooks, BR; Brooks, CL; Mackerell, AD; Nilsson, L; Petrella, RJ;
      Roux, B; Won, Y; Archontis, G; Bartels, C; Boresch, S; Caflisch,
      A; Caves, L; Cui, Q; Dinner, AR;; Feig, M; Fischer, S; Gao, J;
      Hodoscek, M; Im, W; Kuczera, K; Lazaridis, T; Ma, J;
      Ovchinnikov, V; Paci, E; Pastor, RW; Post, CB; Pu, JZ; Schaefer,
      M; Tidor, B; Venable, RM; Woodcock, HL; Wu, X; Yang, W; York,
      DM; Karplus, M; "CHARMM: The Biomolecular Simulation Program",
      J. Comp. Chem., 2009, Vol. 30, 1545-1614.

 125. Lesar, A; Hodoscek, M; " Electronically excited states of XOONO
      (X = Cl, Br): theoretical studies (vol 107, pg 693, 2009)",
      Mol. Phys., 2009, Vol. 107, 1407-1407.

 124. Lesar, A; Hodoscek, M; "Electronically excited states of XOONO
      (X=Cl, Br): theoretical studies", Mol. Phys., 2009, Vol. 107,

 123. Simcic, M; Hodoscek, M; Humljan, J; Kristan, K; Urleb, U;
      Kocjan, D; Grdadolnik, SG; "NMR and Molecular Dynamics Study of
      the Binding Mode of Naphthalene-N-sulfonyl-D-glutamic Acid
      Derivatives: Novel MurD Ligase Inhibitors", J. Med. Chem., 2009,
      Vol. 52, 2899-2908.

 122. Sala, M; Hodoscek, M; Arulmozhiraja, S; Fujii, T; "Complete Set
      of Critical Points on the C60H+ Potential Energy Surface",
      J. Phys. Chem. A, 2009, Vol. 113, 3223-3226.

 121. Juneja, A; Riedesel, H; Hodoscek, M; Knapp. EW; "Bound Ligand
      Conformer Revealed by Flexible Structure Alignment in Absence of
      Crystal Structures: Indirect Drug Design Probed for HIV-1
      Protease Inhibitors", J. Chem. Theo. and Comp., 2009, Vol. 5,

 120. Perdih, A; Hodoscek, M; Solmajer, T; "MurD ligase from E. coli:
      Tetrahedral intermediate formation study by hybrid quantum
      mechanical/molecular mechanical replica path method",
      Proteins, 2009, Vol. 74, 744-759.


 119. Miller, BT; Singh, RP; Klauda, JB; Hodoscek, M; Brooks, BR;
      Woodcock, HL; "CHARMMing: A new, flexible web portal for
      CHARMM", J. Chem. Inf. And Modeling, 2008, Vol. 48, 1920-1929.

 118. Luic, M; Stefanic, Z; Ceilinger, I; Hodoscek, M; Janezic, D.;
      Lenac, T; Asler, IL; Sepac, D; Tomic, S; "Combined X-ray
      diffraction and QM/MM study of the Burkholderia cepacia
      lipase-catalyzed secondary alcohol esterification", J. Phys.
      Chem. B, 2008, Vol. 112, 4876-4883.

 117. Zidar, J; Pirc, ET; Hodoscek, M; Bukovec, P; "Copper(II) ion
      binding to cellular prion protein", J. Chem. Inf. And Modeling,
      2008, Vol. 48, 283-287.

 116. Lee, YS; Pike, VW; Hodoscek, M, "Identification of the transition
      states in the inversion of 1,4-benzodiazepines with the ab initio
      replica path method", J. Phys. Chem. A, 2008, vol. 112, 1604-1611.

 115. Praprotnik, M; Hocevar, S; Hodoscek, M; Penca, M; Janezic, D,
      "New all-atom force field for molecular dynamics simulation of
       an AlPO4-34 molecular sieve", J. Comp. Chem., 2008, vol. 29, 122-129.


 114. Butala, M; Hodoscek, M; Anderluh, G; Podlesek, Z; Zgur-Bertok, D,
      "Intradomain LexA rotation is a prerequisite for DNA binding
      specificity", FEBS Lett., 2007, vol. 581, 4816-4820.

 113. Mlinsek, G; Oblak, M; Hodoscek, M; Solmajer, T, "Thrombin inhibitors
      with novel P1 binding pocket functionality: free energy of binding
      analysis", J. Mol. Modeling, 2007, vol. 13, 247-254.

 112. Perdih, A; Kotnik, M; Hodoscek, M; Solmajer, T, "Targeted molecular
      dynamics simulation studies of binding and conformational changes in
      E-coli MurD", Proteins, 2007, vol. 68, 243-254.

 111. Woodcock, HL; Hodoscek, M; Gilbert, ATB; Gill, PMW; Schaefer, HF;
      Brooks, BR, "Interfacing Q-chem and CHARMM to perform QM/MM reaction
      path calculations", J. Comp. Chem, 2007, vol. 28, 1485-1502.

 110. Woodcock, HL; Hodoscek, M; Brooks, BR, "Exploring SCC-DFTB paths
      for mapping QM/MM reaction mechanisms", J. Phys. Chem. A, 2007,
      vol. 111, 5720-5728.


 109. Lesar, A; Hodoscek, M; Drougas, E; Kosmas, AM, "Quantum mechanical   
      investigation of the atmospheric reaction CH3O2+NO", J. Phys. Chem. A,
      2006, vol. 110, 7898-7903.

 108. Lesar, A; Kovacic, S; Hodoscek, M, "ClONO and BrONO loss mechanisms
      in the presence Of NO2: A quantum-mechanical study", Chem. Phys. Lett.,
      2006, vol. 429, 343-349. 

 107. Lesar, A; Boncina, M; Hodoscek, M, "Density functional study on
      the ClCO+NO2 reaction", Chem. Phys., 2006, vol. 328, 363-370.

 106. Mravljak, J; Konc, J; Hodoscek, M; Solmajer, T; Pecar, S,
      "Spin-labeled alkylphospholipids in a dipalmitoylphosphatidylcholine
      bilayer: Molecular dynamics simulations", J. Phys. Chem. B, 2006,
      vol. 110, 25559-25561.

 105. Merzel F, Hodoscek M, Janezic D, Sanson A, "New force field for
      calcium binding sites in annexin-membrane complexes.",
      J. comput. chem., 2006, vol. 27, no. 4, 446-452.

 104. Konc J, Hodoscek M, Janezic D, "Molecular surface walk.",
      Croat. chem. acta, 2006, vol. 79, no. 2, 1-7.

 103. Kovacic S, Lesar A, Hodoscek M, Koller J. "A theoretical
      examination of the isomerization of BrONO2 to
      BrOONO". Chem. phys., 2006, vol. 323, 369-375.


 102. Bren, U, Hodoscek, M, Koller, J, "Development and validation of
      empirical force field parameters for netropsin",
      J. Chem. Inf. And Modeling, 45, 1546-1552, 2005.

 101. Lesar, A, Kovacic, S, Hodoscek, M, Muhlhauser, M, Peyerimhoff,
      SD, "Electronic spectrum and photodissociation of ClONO in
      comparison to BrONO", J. Phys. Chem. A, 109, 10357-10362, 2005.

 100. Kovacic S, Lesar A, Hodoscek M, "Density functional
      characterization of the potential energy surface of the NO2+Br
      reaction", Chem. Phys. Lett., 413(1-3), 36-41, SEP 15 2005

  99. Pirc ET, Zidar J, Bukovec P, Hodoscek M, "Molecular modeling of
      cobalt(II) hyaluronate", Carbohydrate Research 340 (12):
      2064-2069 SEP 5 2005

  98. Borstnik U, Hodoscek M, Janezic D, Lukovits, I, "Electronic
      structure properties of carbon nanotubes obtained by density
      functional calculations", Chem. Phys. Lett., 411 (4-6):
      384-388 AUG 15 2005

  97. Lesar A, Kovacic S, Hodoscek M, Stadler MG, Muhlhauser M,
      Peyerimhoff SD, "Low-lying excited states and
      photodissociation studies of cis-BrONO", Mol. Phys., 103 (17):
      2375-2380 SEP 10 2005

  96. Borstnik U, Hodoscek M, Janezic D, "Fast parallel molecular
      simulations", Croat. Chem. Acta, 78 (2): 211-216 JUN 2005  

  95. Dolenc J, Borstnik U, Hodoscek M, Koller J, Janezic D, "An ab
      initio QM/MM study of the conformational stability of complexes
      formed by netropsin and DNA. The importance of van der Waals
      interactions and hydrogen bonding", J. Mol. Struct - THEOCHEM
      718 (1-3): 77-85 MAR 31 2005

  94. Kovacic S, Lesar A, Hodoscek M, "Quantum mechanical study of
      the potential energy surface of the ClO+NO2 reaction",
      J. Chem. Inf. And Modeling, 45 (1): 58-64 JAN-FEB 2005


  93. Lesar A, Kovacic S, Hodoscek M, et al.  "Ab initio MRD-CI study
      of the electronic spectrum of BrNO2 and photofragmentation", J
      PHYS CHEM A 108 (43): 9469-9474 OCT 28 2004

  92. Borstnik U, Hodoscek M, Janezic D "Improving the performance of
      molecular dynamics simulations on parallel clusters", J CHEM INF
      COMP SCI 44 (2): 359-364 MAR-APR 2004

  91. Lesar A, Hodoscek M, Muhlhauser M, et al.  Ab initio MRD-Cl
      study on the low-lying excited states of ClNO2 CHEM PHYS LETT 383
      (1-2): 84-88 JAN 1 2004


  90. Morra G, Hodoscek M, Knapp EW "Unfolding of the cold shock
      protein studied with biased molecular dynamics", PROTEINS 53 (3):
      597-606 NOV 15 2003

  89. Lesar A, Prebil S, Hodoscek M, "Ab initio characterization of
      ClNO3 isomers", J PHYS CHEM A 107 (43): 9168-9174 OCT 30 2003

  88. Woodcock HL, Hodoscek M, Sherwood P, et al.  "Exploring the
      quantum mechanical/molecular mechanical replica path method: a
      pathway optimization of the chorismate to prephenate Claisen
      rearrangement catalyzed by chorismate mutase", THEOR CHEM ACC 109
      (3): 140-148 APR 2003

  87. Lee YS, Hodoscek M, Kador PF, et al., "Hydrogen bonding
      interactions between aldose reductase complexed with NADP(H) and
      inhibitor tolrestat studied by molecular dynamics simulations
      and binding assay", CHEM-BIOL INTERACT 143: 307-316 FEB 1 2003

  86. Lesar A, Prebil S, Muhlhauser M, et al.,  "Conformational
      potential energy surface of BrOONO", CHEM PHYS LETT 368 (3-4):
      399-407 JAN 17 2003


  85. Das D, Eurenius KP, Billings EM, et al., "Optimization of
      quantum mechanical molecular mechanical partitioning schemes:
      Gaussian delocalization of molecular mechanical charges and the
      double link atom method", J CHEM PHYS 117 (23): 10534-10547 DEC 15

  84. Lesar A, Prebil S, Hodoscek M, "Enthalpy of the gas-phase CO2+Mg
      reaction from ab initio total energies" J CHEM INF COMP SCI 42
      (4): 853-857 JUL-AUG 2002 Lesar A, Hodoscek M Transition state
      structure and energetics of the N2O+X (X = Cl,Br) reactions J
      CHEM INF COMP SCI 42 (3): 706-711 MAY-JUN 2002

  83. Hodoscek M, Borstnik U, Janezic D, "Crow for large scale
      macromolecular simulations", CELL MOL BIOL LETT 7 (1): 118-119


  82. Mlinsek G, Novic M, Hodoscek M, et al., "Prediction of enzyme
      binding: Human thrombin inhibition study by quantum chemical and
      artificial intelligence methods based on X-ray structures", J
      CHEM INF COMP SCI 41 (5): 1286-1294 SEP-OCT 2001


  81. Kokalj A, Lesar A, Hodoscek M, et al., "Periodic DFT study of
      the Pt(111): A p(1x1) atomic oxygen interaction with the
      surface", J PHYS CHEM B 103 (34): 7222-7232 AUG 26 1999

  80. Lyne PD, Hodoscek M, Karplus M, "A hybrid QM-MM potential
      employing Hartree-Fock or density functional methods in the
      quantum region", J PHYS CHEM A 103 (18): 3462-3471 MAY 6 1999


  79. Lesar A, Hodoscek M, "Ab initio molecular orbital and density
      functional characterization of the potential energy surface of
      the N2O+Br reaction", J CHEM PHYS 109 (21): 9410-9416 DEC 1 1998

  78. Nicklaus MC, Williams RW, Bienfait B, et al.  "Computational
      chemistry on commodity-type computers", J CHEM INF COMP SCI 38
      (5): 893-905 SEP-OCT 1998

  77. Lee YS, Hodoscek M, Brooks BR, et al., "Catalytic mechanism of
      aldose reductase studied by the combined potentials of quantum
      mechanics and molecular mechanics", BIOPHYS CHEM 70 (3): 203-216
      MAR 9 1998

  76. Lesar A, Muri G, Hodoscek M, "Ab initio studies on the
      structures and vibrational frequencies of rare earth fluorides
      LnF(n) (Ln = Er, Tm; n = 1, 2, 3) and their positive ions and an
      assessment of their ionization and dissociation energies", J
      PHYS CHEM A 102 (7): 1170-1176 FEB 12 1998


  75. Eckert-Maksic M, Hodoscek M, Kovacek D, et al., "Theoretical
      model calculations of the absolute proton affinities of
      benzonitrile, nitroso- and nitrobenzene" J MOL STRUC-THEOCHEM 417
      (1-2): 131-143 OCT 13 1997

  74.  A. Kokalj, A. Lesar, M. Hodoscek, "Interaction of Oxygen with the
       Pt(111) surface: a cluster model study", Chem. Phys. Lett., 268
       (1997), 43-49.

  73.  D. Zupanic, M. Hodoscek, N. Lavrac, I. Mozetic, "Global Energy
       Minimization of Small Molecules Combinig Constraint Logic
       Programming and Molecular Mechanics", J. Chem.  Inf. Comp. Sci.,
       XXXX (1997), in press.


  72.  K. P. Eurenius, D. C. Chatfield, B. R. Brooks, M Hodoscek, "Enzyme
       Mechanisms with Hybrid Quantum and Molecular Mechanical Potentials.
       I. Theoretical Considerations", Int. J. Quant. Chem., 60, 1996,

  71.  M. Eckert-Maksic, Z. Glasovac, M. Hodoscek, A. Lesar, Z. B. Maksic,
       "Molecular and electronic structure of 1,2-disilacyclobutabenzenes.
       Ab initio molecular orbital and den- sity functional study.",
       J. Organometallic Chem., 524, 1996, 107-114.

  70.  A.  Lesar, M.  Hodoscek, M.  Senegacnik, "Experimental and
       theoretical studies of the decomposition of N2 O catalyzed by
       chlorine.", J. Chem. Phys., 105 (3), 1996, 917-926.


  69.  Y. S. Hwang, R. Das, J. H. Saltz, M. Hodoscek, B. R. Brooks,
       "Parallelizing Molecular Dynamics Programs for Distributed Memory
       Machines.", IEEE: Computational Science & Engineering, 2, 1995,

  68.  D. Vikic-Topic, M. Hodoscek, A. Graovac, E. D. Becker, "Loewdin
       Atomic Charges for Modeling Long Range Deuterium Istope Shifts in
       C-13 NMR Spectra of Binuclear Aro- matic Compounds.",
       Croat. Chim. Acta, 68, 1995, 193-208.


  67.  X. J. Yan, S. M. Wang, M. Hodoscek, G. W. A. Milne, "Prediction of
       Geometries and Interaction Energies of Complex Formed by Small
       Molecules Using Semiempirical and Ab Intio Methods.",
       J. Mol. Struct. (Theochem), 115, 1994, 279-294.


  66.  M. Hodoscek, D. Kovacek, and Z. B. Maksic, "Theoretical Study of
       Mills-Nixon Effect in Naphto-cyclobutenes and -cyclobutadienes",
       Theor.  Chim.  Acta (Berlin), 86(4), 1993, 343-351.

  65.  M. Hodoscek, D. Kovacek, Z. B. Maksic, "Influence of Substituents on
       the Mills-Nixon effect in some Naphtodicyclobutenes and
       Naphtodicyclobutadienes.", J.  Mol.  Struct.  (Theochem), 100, 1993,

  64.  J. E. Bloor, M. Eckert-Maksic, M. Hodoscek, Z. B. Maksic,
       K. Poljanec, "Ab Initio Cal- culations of the Mills-Nixon Effect in
       Indan, Tetralin, and in Related Systems.", New J.  Chem., 17, 1993,

  63.  M. Eckert-Maksic, L. Maksimovic, M. Hodoscek, "Electronic Structure
       of Fused 7-oxa-norbornenes. Photoelectronspectroscopic Study.",
       Tetr. Letters, 34, 1993, 4245-4248.

  62.  M. Eckert-Maksic, Z. B. Maksic, M. Hodoscek, K. Poljanec, "The
       Mills-Nixon Effect in Trindan and some Related Tris-annelated
       Benzenes", J. Mol.  Struct.  (Theochem), 285, 1993, 187-194.

  61.  G. W. A. Milne, M. Nicklaus, M. Hodoscek, "Molecular modelling in
       solvent", J. Mol.  Struct. (Theochem), 291(1), 1993, 89-103.

  60.  D.  Vikic-Topic, M.  Hodoscek, A.  Graovac, E.  D.  Becker, G.
       Lodder and H.  Zuilhof.  "On the Calculations of Deuterium Long
       Range Isotope Effects on Carbon-13 Chemical Shifts, in Nuclear
       Magnetic Shieldings and Molecular Structure.", J. A Tossell, ed.,
       NATO ASI Series C, Vol 386, Kluwer Academic Publishers, Dordrecht
       1993, 574.

  59.  P.  J.  Steinbach, M.  Hodoscek, B.  R.  Brooks, "Modeling Solvation
       Effects on Protein Dynamics.", Biophys. J., 64, (2), 1993, p. A183.


  58.  K. Poljanec, M. Hodoscek, and I. Kobal, "Ab initio calculations of
       stationary points on the potential energy surface and determination
       of kinetic isotope effects for the reaction of CO with Cu2 O.", in
       Cluster Models for Surface and Bulk Phenomena, Ed.  G. Pacchioni et
       al., Plenum Press, New York, 1992. pp. 423-432.

  57.  S. V. Wagin, R. Jerman, M. Hodoscek, B. Orel, A. S. Rutski,
       Low-Temperature Middle- IR-Reflectivity of Pb3 (PO4 )2 ,
       Ferroelectrics, 130(4), 1992, 305-308.

  56.  B. R. Brooks, M. Hodoscek, "Parallelization of CHARMM for MIMD
       Machines", Chem- ical Design Automation News, 7(12), 1992, 16-22.

  55.  B. R. Brooks, M. Hodoscek, P. J. Steinbach, R. Martino
       "Parallelization of CHARMM for the Intel Delta Touchstone Machine"
       in "Touchstone Delta Grand Challenge Computing Applications",
       Caltech Concurrent Supercomputing Facilities Technical Report 22-92,
       pp 61-68, June 1992.

  54.  D. Hadzi, M. Hodoscek, J. Grdadolnik, and F. Avbelj, "Intermolecular
       effects on phos- phate frequencies in phospholipids - infrared study
       and ab-initio model calculation", J.  Mol. Struct. (Theochem), 266,
       (1992), 9-19.

  53.  M. Eckert-Maksic, Z. B. Maksic, M. Hodoscek, D. Kovacek, and
       K. Rupnik, "Intra- and extra-molecular electrostatic potentials in
       vitamin C", J. Mol.  Struct.  (Theochem), 256, 1992, 271-286.

  52.  M. Eckert-Maksic, M. Hodoscek, Z. B. Maksic, and K. Poljanec,
       "Mills-Nixon effect in heteroanalogues of cyclopropanbenzene;
       Dedicated to prof.  Enrico Clementi", Int.  J.  Quant. Chem., 42,
       1992, 869-877.

  51.  Z. Crnjak Orel, B. Orel, M. Hodoscek, V. Kucic, "Conductive SnO2 /Sb
       Powder - Prepa- ration and Optical Properties'.", J. Mat. Sci., 27,
       1992, 313-318.

  50.  K. Poljanec, J. Vernik, M. Hodoscek, I. Kobal, M. Senegacnik,
       "Carbon Kinetic Istope effects in the Oxidation of CO over Cu2 O.",
       Vestn. Slov. Kem. Drus., 39(2), 1992, 213-224.


  49.  Z. B. Maksic, M. Eckert-Maksic, M. Hodoscek, W. Koch, D. Kovacek,
       "Theoretical stud- ies of the Mills-Nixon effect", in "Molecules in
       natural Sciences and Medicine - An En- comium for Linus Pauling",
       Z. B. Maksic, and M. Eckert-Maksic; Eds., Ellis Harwood, Chichester,
       1991, 333-349.

  48.  J.  Mavri, M.  Hodoscek, D.  Hadzi, "Ab initio Calculations on
       structure and hydrogen bonding in hydrogen diformiate using various
       basis sets", J. Mol.  Struct.  (Theochem), 81, 1991, 57-65.

  47.  M. Eckert-Maksic, M. Hodoscek, G. Fodor, "Theoretical Study of (3,6)
       Cyclohemiketal Form of L-Ascorbic-Acid" Croat. Chim. Acta, 64, 1991,

  46.  K. Poljanec, M. Hodoscek, D. Lovric, B. Gumhalter, "Interaction of
       He atoms with (111) and (100) surfaces of Cu and Ni", Surface
       Science, 251/2 52(1991)706-711.

  45.  M. Eckert-Maksic, M. Hodoscek, D. Kovacek, Z. B. Maksic, J. Kudnig,
       and K. Poljanec, "Is Mills-Nixon effect operative in perfluorobenzo
       /1,2:3,4:5,6/tricyclobutene?", J. Mol.  Struct. (Theochem), 234,
       1991, 201-212.

  44.  J. Grdadolnik, D. Hadzi, M. Hodoscek, J. Kidric, J. Koller,
       "Spectroscopic studies of lecithin hydration supported by MO
       calculation on model molecules'.", Period. Biol., 93, 1991, 257-260.


  43.  Z.  Crnjak Orel, R.  Jerman, M.  Hodoscek, B.  Orel,
       "Characterization by FT-IR spec- troscopy of TSSS Paint Coatings for
       Solar Collectors", Sol.  Energy Mat., 20, 1990, 435- 454.

  42.  Z.  Crnjak Orel, M.  Hodoscek, B.  Orel, Bull.  Chem.  Technol.
       Macedonia, 8, 1990, 169-174.

  41.  J. Koller, M. Hodoscek, B. Plesnicar, "Ab initio molecular orbital
       studies of methyl hydro- trioxide monomers and intermolecularly
       hydrogen-bonded cyclic dimers", J. Am.  Chem.  Soc., 112, 1990,

  40.  M. Eckert Maksic, M. Hodoscek, D. Kovacek, D. Mitic, Z. B. Maksic,
       K. Poljanec, "Mills- Nixon Effect in Benzocyclobutenes.",
       J. Mol. Struct. (Theochem), 206, 1990, 89-98

  39.  T. Solmajer, M. Hodoscek, "Inhibitor and Substrate binding in
       Dihydrofolate Reductase - a Theoretical Approach."  In Modelling of
       Molecular Structure and Properties (ed.  E.  Rivalli), Elsevier,
       Amsterdam, 1990, pp. 567-575.

  38.  M. Hodoscek, D. Hadzi, "Ab inition SCF and Moller-Plesset
       Calculations on the Hydrogen Bond in Hydrogen Maleate",
       J. Mol. Struct. (Theochem), 209, 1990, 411-419

  37.  J. Mavri, Hodoscek, D. Hadzi, "Ab inition SCF and Moller-Plesset
       Calculations on the Hy- drogen Bond in Hydrogen Malonate: Effects of
       Neighbour Ions and Polarizable medium", J. Mol. Struct. (Theochem),
       209, 1990, 421-431

  36.  M.  Eckert-Maksic, M.  Hodoscek, D.  Kovacek, Z.  B.  Maksic, and K.
       Poljanec, "Strong Mills-Nixon effect in byphenylene",
       Chem. Phys. Lett., 171, 1990, 49-52.

  35.  K. Juznic, M. Hodoscek, "Ratios of Iodination Rates of Tyrosine and
       Diiodo-Thyronine", Z. fuer phys. Chem., 271, 1990, 223-226.


  34.  M.  Hodoscek, D.  Hadzi and T.  Solmajer, "Ab-initio calculations of
       hydrogen bonding between guanidine isosters and carboxylate", J. Mol.
       Struct.  (Theochem), 183, (1989), 371-379.

  33.  M. Hodoscek, V. Harb, and D. Hadzi, "Ab-initio calculations on the
       protonation of sim- ple amides by H3 O+.  Effects of discrete
       hydration and solvent cavity", J. Mol.  Struct.  (Theochem), 194,
       (1989), 191-201.

  32.  M. Hodoscek, D. Hadzi, "Proton Transfer in the H C OOH . C H3 N H2
       Complex. Ab Initio Study With Various Basis Sets and Reaction
       Fields", (Theochem), 198, (1989), 461-473.

  31.  D. Hadzi, D. Kocjan, J. Koller and M. Hodoscek, "Molecular
       electrostatic potentials: A critical assessment in QSAR and a
       tryptamine binding model", Progress in QSAR (J.L.  Fauchere, Ed.),
       Alan R. Riss Inc., New York, (1989), 259-263.

  30.  D. Hadzi, D. Kocjan, J. Koller, and M. Hodoscek, "Differentiation
       between dopamine and serotonin agonists by statistically evaluated
       molecular electrostatic potentials", X-th Inter- national Symposium
       on Medicinal Chemistry, Budapest (Hungary), Elsevier, Amsterdam,
       1989, 417-428.


  29.  D.  Hadzi, M.  Hodoscek, J.  Koller, and D.  Kocjan, "Molecular
       Electrostatic Potentials as Determinants of Ligand - Receptor
       Recognition", Wiss.  Z. Ernst-Moritz-Arndt-Univ.  Greifswald,
       Med. Reihe, 37, (1988) 22-25.

  28.  D. Hadzi, M. Hodscek, V. Harb, and D. Turk, "Theoretical
       investigations of structure and enzymatic mechanisms of aspartyl
       proteinases.  Part II. Ab-initio calculations on some possible
       initial steps of proteolysis.", J. Mol. Struct. (Theochem), 50, (1988)

  27.  D. Hadzi, J. Koller and M. Hodoscek, "Ab initio calculations of
       proton potential functions of some rhodopsin modeling systems",
       J. Mol. Struct. (Theochem), 45, (1988) 279.

  26.  R. Bonaccorsi, M. Hodoscek, J. Tomasi, "Introduction of solvent
       effects in the electrostatic recognition of biological receptors",
       J. Mol. Struct. (Theochem), 164, (1988) 105-119..

  25.  M. Hodoscek, D. Kocjan and D. Hadzi, "Ab initio calculations in the
       hydration of dimethyl - pyrazole and indazole. Solvent effects on
       tautomeric energies", J. Mol. Struct. (Theochem) 165, 115-124 (1988).

  24.  D. Hadzi, J. Koller and M. Hodoscek, "Ab initio calculations of
       proton potential functions of some rhodopsin modelling systems",
       J. Mol. Struct (Theochem) 168, 279-286 (1988).

  23.  J. Koller, M. Hodoscek and D. Hadzi, "Protonation and cis-trans
       isomerization energies of the retinal Schiff base bonded to formic
       acid: An MNDO/H and AM1 calculation", J. Mol.  Struct. (Theochem)
       168, 287-292 (1988).


  22.  D. Hadzi, J. Koller, M. Hodoscek, and D. Kocjan, "Correlation of
       electrostatic potential based parameters of tryptamine congeners
       with serotonin receptor affinity", in: QSAR in Drug Design and
       Toxicology, D.  Hadzi and B.  Jerman-Blazic, Eds., Elsevier Science
       Publishers, Amsterdam 1987, 179-183.

  21.  D. Hadzi, J. Koller, M. Hodoscek, and D. Kocjan, "Molecular
       electrostatic potential _ a critical assessment of its role in drug
       - receptor recognition", in: Modeling of Structure and Properties of
       Molecules, Z.B. Maksic, ed., Ellis Horwood Publ.  Co., Chichester,
       1987, Ch. 17., 286-298.

  20.  D.  Kocjan, M.  Hodoscek, and D.  Hadzi, "MO calculations on the
       tautomerism of 3,4 - dimethylpyrazole, indazole, and their alicyclic
       analogues -(5-amino)-4,5,6,7-tetrahydro- indazole and (4-amino)-1,
       3, 4, 5-tetrahydrobenzo(cd)indazole", J. Mol. Struct. (Theochem) 152,
       331-339 (1987).

  19.  D.  Hadzi, M.  Hodoscek, V.  Harb, D.  Turk, "Theoretical
       investigations of structure and enzymatic mechanisms of aspartyl
       proteinases. Part I. Ab-initio calculations on an active site model:
       hydrogen diformiate with H2 O and H3 O+", J. Mol.  Struct.
       (Theochem) 150, 241-250 (1987).

  18.  D. Hadzi, J. Kidric, D. Kocjan, M. Hodoscek, "Interaction
       pharmacophore of ergolenes.  Theoretial and NMR
       studies". J. Serb. Chem. Soc. 52 (11) 617-624 (1987).


  17.  B. Plesnicar, V. Menart, M. Hodoscek, J. Koller, F. Kovac, and
       J. Skerjanc, "Calorimetric H nuclear magnetic resonance and molecular
       orbital studies of hydrogen boding between peroxy acids and oxygen
       bases.  Implications for mono-oxygen donation potential of peroxy
       acids", J. Chem. Soc., Perkin Trans.II, 1986, 1397-1405.

  16.  A. Brbot-Saranovic, D. Hadzi, M. Hodoscek, and B. Orel: "Vibrational
       Spectra of Some trialkylammonium acid salts. Hydrogen Bonding in
       Solids and Solutions", J. Mol. Struct., 140, 1986, 269-279.

  15.  D. Kocjan, M. Hodoscek, and D. Hadzi, "Dopaminergic pharmacophore of
       ergoline and its analogs - a molecular electrostatic potential
       study", J. Med. Chem., 29, 1986, 1418-1423.

  14.  D. Hadzi, J. Koller, M. Hodoscek, and D. Kocjan, "Correlation of
       electrostatic potential based parameters of tryptamine congeners
       with serotonine receptor affinity", Proceedings of the 6th European
       Symposium on QSAR, 1986, Elsevier, Amsterdam


  13.  F. Avbelj, M. Hodoscek, D. Hadzi, "Vibrational Analysis of the
       Hydrogen Maleate Ion Using Scaled Ab-initio Force Constants"
       Spectrochim. Acta, 41A, 1985, 75-88.

  12.  M. Hodoscek, D. Hadzi, "Ab-initio Calculation on the Retinal Schiff
       Base-Formic Acid and Allylimine-Formic Acid Hydrogen Bond",
       Can. J. Chem., 63, 1985, 1528-1531.

  11.  J. Koller, V. Harb, M. Hodoscek, D. Hadzi, "MNDO and MNDO/H
       Calculations on Hy- drogen Bonds - a Comparison with Ab - initio and
       CNDO/2 Methods", J. Mol.  Struct.  (Theochem), 122, 1985, 343-350

  10.  B.  Plesnicar, F.  Kovac, M.  Hodoscek, J.  Koller, "The Nature of
       Hydrogen Bonding in Hydrotrioxides of Methyl Alfa-methylbenzyl Ether
       and Alfa-methylbenzyl Alcohol. Are Hydrotrioxides Self-associated in
       Solutions?", J.  Chem.  Soc.  Chem.  Commun., 1985, 515-517

   9.  M. Hodoscek, and T. Solmajer, "Effects of Fluorine Substitution in
       the Cathechol Ring, an Ab-initio MO Theoretical Study",
       Theor. Chim. Acta (Berlin), 66, 1985, 395.


   8.  D. Hadzi, M. Hodoscek, D. Kocjan, T. Solmajer, F. Avbelj, "The
       Molecular electrostatic Potential as a Determinant of Receptor -
       Drug Recognition", Croat. Chim. Acta, 57, 1984, 1065-1074

   7.  M.  Hodoscek, T.  Solmajer: "Energy Decomposition Study of Lithium
       Compounds", J.  Amer. Chem. Soc., 106, 1984, 1854-1855

   7.  D. Kocjan, M. Hodoscek, T. Solmajer, D. Hadzi, "Conformation and
       Molecular Electro- static Potential of Ring Fluorinated
       Noradrenalines", Eur.  J. Med.  Chem.  Chim.  Theor., 19, 1984, 55-59

   6.  J. Koller, M. Hodoscek, D. Hadzi, "An Ab Initio Model Study of the
       Medium Effects on Proton Transfer in the Methilamine - Formic Acid
       Complex", J. Mol.  Struc., 106, 1984, 301-307

   5.  T. Solmajer, M. Hodoscek, D. Hadzi, "Correlation between Affinity
       Towards fi-Adrenergic Receptors and Eectrostatic Potentials of
       Phenylethylamine Derivatives", Quant. Struct.  Act. Relat., 3, 1984,

   4.  M. Hodoscek, D. Kocjan, T. Solmajer, "Ab initio MO study of Hydrogen
       Bonded Com- plex: Noradrenaline - Formic Acid", 1984, Croat. Chim. Acta,
       57, 1984, 65-74


   3.  T. Solmajer, M. Hodoscek, and D. Hadzi, "Ab initio MO Investigation
       of the Ethanolamine- Formic Acid Complex", Int. J. Quant. Chem., 23,
       945-966 (1983)

   2.  D. Kocjan, T. Solmajer, M. Hodoscek, and D. Hadzi, "Conformational
       and MO Studies of Hydroxy-2-Aminotetralins", Int. J. Quant. Chem. 23,
       1121-1133 (1983)

   1.  T. Solmajer, M. Hodoscek, D. Kocjan, and D. Hadzi, "Molecular
       electrostatic potential of ring fluorinated noradrenalins and
       subtype selectivity", Period. Biol. 85, (2), 125-126 (1983)