Milan Hodoscek

According to our database, Milan Hodoscek authored at least 23 papers between 1997 and 2021.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2021

CHARMM Force-Field Parameters for Morphine, Heroin, and Oliceridine, and Conformational Dynamics of Opioid Drugs.

Thomas Giannos, Samo Lesnik, Urban Bren, Milan Hodoscek, Tatiana Domratcheva, Ana-Nicoleta Bondar

J. Chem. Inf. Model., 2021

2020

Loop Grafting between Similar Local Environments for Fc-Silent Antibodies.

Samo Lesnik, Milan Hodoscek, Barbara Podobnik, Janez Konc

J. Chem. Inf. Model., 2020

Potential Energy Function for Fentanyl-Based Opioid Pain Killers.

Samo Lesnik, Milan Hodoscek, Urban Bren, Christoph Stein, Ana-Nicoleta Bondar

J. Chem. Inf. Model., 2020

2018

Modeling a learning organization using a molecular network framework.

Matej Janezic, Vlado Dimovski, Milan Hodoscek

Comput. Educ., 2018

2015

Molecular dynamics to enhance structure-based virtual screening on cathepsin B.

Mitja Ogrizek, Samo Turk, Samo Lesnik, Izidor Sosic, Milan Hodoscek, Bojana Mirkovic, Janko Kos, Dusanka Janezic, Stanislav Gobec, Janez Konc

J. Comput. Aided Mol. Des., 2015

2014

Structural Insight into the Unique Binding Properties of Pyridylethanol(phenylethyl)amine Inhibitor in Human CYP51.

Urska Zelenko, Milan Hodoscek, Damjana Rozman, Simona Golic Grdadolnik

J. Chem. Inf. Model., 2014

2013

Structure-Based Function Prediction of Uncharacterized Protein Using Binding Sites Comparison.

Janez Konc, Milan Hodoscek, Mitja Ogrizek, Joanna Trykowska Konc, Dusanka Janezic

PLoS Comput. Biol., 2013

Ligand Binding Site Identification by Higher Dimension Molecular Dynamics.

Achani K. Yatawara, Milan Hodoscek, Dale F. Mierke

J. Chem. Inf. Model., 2013

2012

Correlating Protein Hot Spot Surface Analysis Using ProBiS with Simulated Free Energies of Protein-Protein Interfacial Residues.

Nejc Carl, Milan Hodoscek, Blaz Vehar, Janez Konc, Bernard R. Brooks, Dusanka Janezic

J. Chem. Inf. Model., 2012

2009

CHARMM: The biomolecular simulation program.

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

J. Comput. Chem., 2009

2008

Copper(II) Ion Binding to Cellular Prion Protein.

Jernej Zidar, Elizabeta T. Pirc, Milan Hodoscek, Peter Bukovec

J. Chem. Inf. Model., 2008

CHARMMing: A New, Flexible Web Portal for CHARMM.

Benjamin T. Miller, Rishi P. Singh, Jeffery B. Klauda, Milan Hodoscek, Bernard R. Brooks, H. Lee Woodcock III

J. Chem. Inf. Model., 2008

New all-atom force field for molecular dynamics simulation of an AlPO₄-34 molecular sieve.

Matej Praprotnik, Stanko Hocevar, Milan Hodoscek, Matej Penca, Dusanka Janezic

J. Comput. Chem., 2008

2007

Interfacing Q-Chem and CHARMM to perform QM/MM reaction path calculations.

H. Lee Woodcock III, Milan Hodoscek, Andrew T. B. Gilbert, Peter M. W. Gill, Henry F. Schaefer III, Bernard R. Brooks

J. Comput. Chem., 2007

2006

New force field for calcium binding sites in annexin-membrane complexes.

Franci Merzel, Milan Hodoscek, Dusanka Janezic, Alain Sanson

J. Comput. Chem., 2006

2005

Quantum Mechanical Study of the Potential Energy Surface of the ClO + NO₂ Reaction.

Sasa Kovacic, Antonija Lesar, Milan Hodoscek

J. Chem. Inf. Model., 2005

Development and Validation of Empirical Force Field Parameters for Netropsin.

Urban Bren, Milan Hodoscek, Joze Koller

J. Chem. Inf. Model., 2005

2004

Improving the Performance of Molecular Dynamics Simulations on Parallel Clusters.

Urban Borstnik, Milan Hodoscek, Dusanka Janezic

J. Chem. Inf. Model., 2004

2002

Enthalpy of the Gas-Phase CO2 + Mg Reaction from ab Initio Total Energies.

Antonija Lesar, Saa Prebil, Milan Hodoscek

J. Chem. Inf. Comput. Sci., 2002

Transition State Structure and Energetics of the N2O + X (X = Cl, Br) Reactions.

Antonija Lesar, Milan Hodoscek

J. Chem. Inf. Comput. Sci., 2002

2001

Prediction of Enzyme Binding: Human Thrombin Inhibition Study by Quantum Chemical and Artificial Intelligence Methods Based on X-ray Structures.

Gregor Mlinsek, Marjana Novic, Milan Hodoscek, Tomaz Solmajer

J. Chem. Inf. Comput. Sci., 2001

1998

Computational Chemistry on Commodity-Type Computers.

Marc C. Nicklaus, Robert W. Williams, Bruno Bienfait, Eric S. Billings, Milan Hodoscek

J. Chem. Inf. Comput. Sci., 1998

1997

Global Energy Minimization of Small Molecules Combining Constraint Logic Programming and Molecular Mechanics.

Darko Zupanic, Milan Hodoscek, Nada Lavrac, Igor Mozetic

J. Chem. Inf. Comput. Sci., 1997