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ORCIDMilan Hodoscek
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Journal Articles
- 2021
[j23]Thomas Giannos, Samo Lesnik, Urban Bren
, Milan Hodoscek, Tatiana Domratcheva, Ana-Nicoleta Bondar:
CHARMM Force-Field Parameters for Morphine, Heroin, and Oliceridine, and Conformational Dynamics of Opioid Drugs. J. Chem. Inf. Model. 61(8): 3964-3977 (2021)- 2020
- [j22]Samo Lesnik, Milan Hodoscek, Urban Bren, Christoph Stein, Ana-Nicoleta Bondar:
Potential Energy Function for Fentanyl-Based Opioid Pain Killers. J. Chem. Inf. Model. 60(7): 3566-3576 (2020) - [j21]Samo Lesnik, Milan Hodoscek, Barbara Podobnik, Janez Konc:
Loop Grafting between Similar Local Environments for Fc-Silent Antibodies. J. Chem. Inf. Model. 60(11): 5475-5486 (2020) - 2018
- [j20]Matej Janezic, Vlado Dimovski, Milan Hodoscek:
Modeling a learning organization using a molecular network framework. Comput. Educ. 118: 56-69 (2018) - 2015
- [j19]Mitja Ogrizek, Samo Turk, Samo Lesnik, Izidor Sosic, Milan Hodoscek, Bojana Mirkovic, Janko Kos, Dusanka Janezic, Stanislav Gobec, Janez Konc:
Molecular dynamics to enhance structure-based virtual screening on cathepsin B. J. Comput. Aided Mol. Des. 29(8): 707-712 (2015) - 2014
- [j18]Urska Zelenko, Milan Hodoscek, Damjana Rozman, Simona Golic Grdadolnik:
Structural Insight into the Unique Binding Properties of Pyridylethanol(phenylethyl)amine Inhibitor in Human CYP51. J. Chem. Inf. Model. 54(12): 3384-3395 (2014) - 2013
- [j17]Achani K. Yatawara, Milan Hodoscek, Dale F. Mierke:
Ligand Binding Site Identification by Higher Dimension Molecular Dynamics. J. Chem. Inf. Model. 53(3): 674-680 (2013) - [j16]Janez Konc, Milan Hodoscek, Mitja Ogrizek, Joanna Trykowska Konc, Dusanka Janezic:
Structure-Based Function Prediction of Uncharacterized Protein Using Binding Sites Comparison. PLoS Comput. Biol. 9(11) (2013) - 2012
- [j15]Nejc Carl, Milan Hodoscek, Blaz Vehar, Janez Konc, Bernard R. Brooks, Dusanka Janezic:
Correlating Protein Hot Spot Surface Analysis Using ProBiS with Simulated Free Energies of Protein-Protein Interfacial Residues. J. Chem. Inf. Model. 52(10): 2541-2549 (2012) - 2009
- [j14]Bernard R. Brooks, Charles L. Brooks III, Alexander D. MacKerell Jr., Lennart Nilsson, Robert J. Petrella, Benoît Roux, Y. Won, G. Archontis, Christian Bartels, Stefan Boresch, Amedeo Caflisch, Leo S. D. Caves, Qiang Cui, Aaron R. Dinner, Michael Feig, S. Fischer, Jiali Gao, Milan Hodoscek, Wonpil Im, Krzysztof Kuczera, Themis Lazaridis, J. Ma, Victor Ovchinnikov, Emanuele Paci, Richard W. Pastor, C. B. Post, J. Z. Pu, Michael Schaefer, Bruce Tidor, Richard M. Venable, H. Lee Woodcock III, X. Wu, W. Yang, Darrin M. York, Martin Karplus:
CHARMM: The biomolecular simulation program. J. Comput. Chem. 30(10): 1545-1614 (2009) - 2008
- [j13]Matej Praprotnik, Stanko Hocevar, Milan Hodoscek, Matej Penca, Dusanka Janezic:
New all-atom force field for molecular dynamics simulation of an AlPO4-34 molecular sieve. J. Comput. Chem. 29(1): 122-129 (2008) - [j12]Jernej Zidar, Elizabeta T. Pirc, Milan Hodoscek, Peter Bukovec:
Copper(II) Ion Binding to Cellular Prion Protein. J. Chem. Inf. Model. 48(2): 283-287 (2008) - [j11]Benjamin T. Miller, Rishi P. Singh, Jeffery B. Klauda, Milan Hodoscek, Bernard R. Brooks, H. Lee Woodcock III:
CHARMMing: A New, Flexible Web Portal for CHARMM. J. Chem. Inf. Model. 48(9): 1920-1929 (2008) - 2007
- [j10]H. Lee Woodcock III, Milan Hodoscek, Andrew T. B. Gilbert, Peter M. W. Gill, Henry F. Schaefer III, Bernard R. Brooks:
Interfacing Q-Chem and CHARMM to perform QM/MM reaction path calculations. J. Comput. Chem. 28(9): 1485-1502 (2007) - 2006
- [j9]Franci Merzel, Milan Hodoscek, Dusanka Janezic, Alain Sanson:
New force field for calcium binding sites in annexin-membrane complexes. J. Comput. Chem. 27(4): 446-452 (2006) - 2005
- [j8]Sasa Kovacic, Antonija Lesar, Milan Hodoscek:
Quantum Mechanical Study of the Potential Energy Surface of the ClO + NO2 Reaction. J. Chem. Inf. Model. 45(1): 58-64 (2005) - [j7]Urban Bren, Milan Hodoscek, Joze Koller:
Development and Validation of Empirical Force Field Parameters for Netropsin. J. Chem. Inf. Model. 45(6): 1546-1552 (2005) - 2004
- [j6]Urban Borstnik, Milan Hodoscek, Dusanka Janezic:
Improving the Performance of Molecular Dynamics Simulations on Parallel Clusters. J. Chem. Inf. Model. 44(2): 359-364 (2004) - 2002
- [j5]Antonija Lesar, Milan Hodoscek:
Transition State Structure and Energetics of the N2O + X (X = Cl, Br) Reactions. J. Chem. Inf. Comput. Sci. 42(3): 706-711 (2002) - [j4]Antonija Lesar, Saa Prebil, Milan Hodoscek:
Enthalpy of the Gas-Phase CO2 + Mg Reaction from ab Initio Total Energies. J. Chem. Inf. Comput. Sci. 42(4): 853-857 (2002) - 2001
- [j3]Gregor Mlinsek, Marjana Novic, Milan Hodoscek, Tomaz Solmajer:
Prediction of Enzyme Binding: Human Thrombin Inhibition Study by Quantum Chemical and Artificial Intelligence Methods Based on X-ray Structures. J. Chem. Inf. Comput. Sci. 41(5): 1286-1294 (2001) - 1998
- [j2]Marc C. Nicklaus, Robert W. Williams, Bruno Bienfait, Eric S. Billings, Milan Hodoscek:
Computational Chemistry on Commodity-Type Computers. J. Chem. Inf. Comput. Sci. 38(5): 893-905 (1998) - 1997
- [j1]Darko Zupanic, Milan Hodoscek, Nada Lavrac, Igor Mozetic:
Global Energy Minimization of Small Molecules Combining Constraint Logic Programming and Molecular Mechanics. J. Chem. Inf. Comput. Sci. 37(6): 966-970 (1997)
Coauthor Index
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