Milan Hodoscek

发表

MSCALE: A General Utility for Multiscale Modeling.

Asim Okur, Bernard R Brooks, Benjamin T. Miller, 2011, Journal of chemical theory and computation.

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

Milan Hodoscek, Sasa Kovacic, Antonija Lesar, 2005, J. Chem. Inf. Model..

Development and Validation of Empirical Force Field Parameters for Netropsin

Milan Hodoscek, Urban Bren, Joze Koller, 2005, J. Chem. Inf. Model..

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

Nada Lavrac, Igor Mozetic, Milan Hodoscek, 1997, J. Chem. Inf. Comput. Sci..

Computational Chemistry on Commodity-Type Computers

Marc C. Nicklaus, Robert W. Williams, Milan Hodoscek, 1998, J. Chem. Inf. Comput. Sci..

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

Milan Hodoscek, Antonija Lesar, M. Hodošček, 2002, J. Chem. Inf. Comput. Sci..

CHARMM: The biomolecular simulation program

Jianpeng Ma, Charles L. Brooks, Themis Lazaridis, 2009, J. Comput. Chem..

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

Dusanka Janezic, Milan Hodoscek, Janez Konc, 2013, PLoS Comput. Biol..

Improving the Performance of Molecular Dynamics Simulations on Parallel Clusters

Dusanka Janezic, Urban Borstnik, Milan Hodoscek, 2004, J. Chem. Inf. Model..

Potential Energy Function for Fentanyl-Based Opioid Pain Killers

Milan Hodoscek, Urban Bren, Christoph Stein, 2020, J. Chem. Inf. Model..

New force field for calcium binding sites in annexin–membrane complexes

Dusanka Janezic, Milan Hodoscek, Franci Merzel, 2006, J. Comput. Chem..

Copper(II) Ion Binding to Cellular Prion Protein

Peter Bukovec, Milan Hodoscek, Jernej Zidar, 2008, J. Chem. Inf. Model..

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

Dusanka Janezic, Bernard R. Brooks, Milan Hodoscek, 2012, J. Chem. Inf. Model..

CHARMMing: A New, Flexible Web Portal for CHARMM

Bernard R. Brooks, Benjamin T. Miller, H. Lee Woodcock, 2008, J. Chem. Inf. Model..

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

Bernard R. Brooks, H. Lee Woodcock, Milan Hodoscek, 2007, J. Comput. Chem..

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

Marjana Novic, Milan Hodoscek, Tomaz Solmajer, 2001, J. Chem. Inf. Comput. Sci..

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

Dusanka Janezic, Matej Praprotnik, Milan Hodoscek, 2008, J. Comput. Chem..

Loop Grafting between Similar Local Environments for Fc-Silent Antibodies

Milan Hodoscek, Janez Konc, Samo Lešnik, 2020, J. Chem. Inf. Model..

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

Milan Hodoscek, Antonija Lesar, Saa Prebil, 2002, J. Chem. Inf. Comput. Sci..

Modeling a learning organization using a molecular network framework

Vlado Dimovski, Milan Hodoscek, Matej Janezic, 2018, Comput. Educ..

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

Dusanka Janezic, Milan Hodoscek, Samo Turk, 2015, Journal of Computer-Aided Molecular Design.

Ligand Binding Site Identification by Higher Dimension Molecular Dynamics

Milan Hodoscek, Dale F. Mierke, Achani K. Yatawara, 2013, J. Chem. Inf. Model..

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

Milan Hodoscek, Urban Bren, Samo Lesnik, 2021, J. Chem. Inf. Model..

Computation of Absolute Hydration and Binding Free Energy with Free Energy Perturbation Distributed Replica-Exchange Molecular Dynamics (FEP/REMD).

Benoît Roux, Milan Hodoscek, Wei Jiang, 2009, Journal of chemical theory and computation.

Replica exchanging self-guided Langevin dynamics for efficient and accurate conformational sampling.

Bernard R Brooks, Xiongwu Wu, Milan Hodoscek, 2012, The Journal of chemical physics.

Liquid-ordered phase formation in cholesterol/sphingomyelin bilayers: all-atom molecular dynamics simulations.

Dusanka Janezic, Milan Hodoscek, Franci Merzel, 2009, The journal of physical chemistry. B.

CROW for large scale macromolecular simulations.

Dusanka Janezic, Urban Borstnik, Milan Hodoscek, 2002, Cellular & molecular biology letters.

Efficiently computing pathway free energies: New approaches based on chain-of-replica and Non-Boltzmann Bennett reweighting schemes.

Milan Hodoscek, Phillip S. Hudson, Stefan Boresch, 2015, Biochimica et biophysica acta.

Unfolding of the cold shock protein studied with biased molecular dynamics

Milan Hodoscek, Giulia Morra, Ernst‐Walter Knapp, 2003, Proteins.

Exploring SCC-DFTB paths for mapping QM/MM reaction mechanisms.

Bernard R Brooks, H Lee Woodcock, Milan Hodoscek, 2007, The journal of physical chemistry. A.