Milan Hodoscek

23 papers Journal 23
YearRankTypeTitle / Venue / Authors
2021 J jnl
CHARMM Force-Field Parameters for Morphine, Heroin, and Oliceridine, and Conformational Dynamics of Opioid Drugs.
J. Chem. Inf. Model.
Thomas Giannos, Samo Lesnik, Urban Bren, Milan Hodoscek, Tatiana Domratcheva, Ana-Nicoleta Bondar
2020 J jnl
Loop Grafting between Similar Local Environments for Fc-Silent Antibodies.
J. Chem. Inf. Model.
Samo Lesnik, Milan Hodoscek, Barbara Podobnik, Janez Konc
2020 J jnl
Potential Energy Function for Fentanyl-Based Opioid Pain Killers.
J. Chem. Inf. Model.
Samo Lesnik, Milan Hodoscek, Urban Bren, Christoph Stein, Ana-Nicoleta Bondar
2018 J jnl
Modeling a learning organization using a molecular network framework.
Comput. Educ.
Matej Janezic, Vlado Dimovski, Milan Hodoscek
2015 J jnl
Molecular dynamics to enhance structure-based virtual screening on cathepsin B.
J. Comput. Aided Mol. Des.
Mitja Ogrizek, Samo Turk, Samo Lesnik, Izidor Sosic, Milan Hodoscek, Bojana Mirkovic, Janko Kos, Dusanka Janezic, Stanislav Gobec, Janez Konc
2014 J jnl
Structural Insight into the Unique Binding Properties of Pyridylethanol(phenylethyl)amine Inhibitor in Human CYP51.
J. Chem. Inf. Model.
Urska Zelenko, Milan Hodoscek, Damjana Rozman, Simona Golic Grdadolnik
2013 J jnl
Ligand Binding Site Identification by Higher Dimension Molecular Dynamics.
J. Chem. Inf. Model.
Achani K. Yatawara, Milan Hodoscek, Dale F. Mierke
2013 J jnl
Structure-Based Function Prediction of Uncharacterized Protein Using Binding Sites Comparison.
PLoS Comput. Biol.
Janez Konc, Milan Hodoscek, Mitja Ogrizek, Joanna Trykowska Konc, Dusanka Janezic
2012 J jnl
Correlating Protein Hot Spot Surface Analysis Using ProBiS with Simulated Free Energies of Protein-Protein Interfacial Residues.
J. Chem. Inf. Model.
Nejc Carl, Milan Hodoscek, Blaz Vehar, Janez Konc, Bernard R. Brooks, Dusanka Janezic
2009 J jnl
CHARMM: The biomolecular simulation program.
J. Comput. Chem.
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
2008 J jnl
CHARMMing: A New, Flexible Web Portal for CHARMM.
J. Chem. Inf. Model.
Benjamin T. Miller, Rishi P. Singh, Jeffery B. Klauda, Milan Hodoscek, Bernard R. Brooks, H. Lee Woodcock III
2008 J jnl
Copper(II) Ion Binding to Cellular Prion Protein.
J. Chem. Inf. Model.
Jernej Zidar, Elizabeta T. Pirc, Milan Hodoscek, Peter Bukovec
2008 J jnl
New all-atom force field for molecular dynamics simulation of an AlPO
J. Comput. Chem.
Matej Praprotnik, Stanko Hocevar, Milan Hodoscek, Matej Penca, Dusanka Janezic
2007 J jnl
Interfacing Q-Chem and CHARMM to perform QM/MM reaction path calculations.
J. Comput. Chem.
H. Lee Woodcock III, Milan Hodoscek, Andrew T. B. Gilbert, Peter M. W. Gill, Henry F. Schaefer III, Bernard R. Brooks
2006 J jnl
New force field for calcium binding sites in annexin-membrane complexes.
J. Comput. Chem.
Franci Merzel, Milan Hodoscek, Dusanka Janezic, Alain Sanson
2005 J jnl
Development and Validation of Empirical Force Field Parameters for Netropsin.
J. Chem. Inf. Model.
Urban Bren, Milan Hodoscek, Joze Koller
2005 J jnl
Quantum Mechanical Study of the Potential Energy Surface of the ClO + NO
J. Chem. Inf. Model.
Sasa Kovacic, Antonija Lesar, Milan Hodoscek
2004 J jnl
Improving the Performance of Molecular Dynamics Simulations on Parallel Clusters.
J. Chem. Inf. Model.
Urban Borstnik, Milan Hodoscek, Dusanka Janezic
2002 J jnl
Enthalpy of the Gas-Phase CO2 + Mg Reaction from ab Initio Total Energies.
J. Chem. Inf. Comput. Sci.
Antonija Lesar, Saa Prebil, Milan Hodoscek
2002 J jnl
Transition State Structure and Energetics of the N2O + X (X = Cl, Br) Reactions.
J. Chem. Inf. Comput. Sci.
Antonija Lesar, Milan Hodoscek
2001 J jnl
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.
Gregor Mlinsek, Marjana Novic, Milan Hodoscek, Tomaz Solmajer
1998 J jnl
Computational Chemistry on Commodity-Type Computers.
J. Chem. Inf. Comput. Sci.
Marc C. Nicklaus, Robert W. Williams, Bruno Bienfait, Eric S. Billings, Milan Hodoscek
1997 J jnl
Global Energy Minimization of Small Molecules Combining Constraint Logic Programming and Molecular Mechanics.
J. Chem. Inf. Comput. Sci.
Darko Zupanic, Milan Hodoscek, Nada Lavrac, Igor Mozetic