Skip to content

Home Search Authors Pakistan News Saved

SciRah

SciRah does not host or store research papers. Results come live from free, official scholarly APIs, and every paper links back to its original source.

Data sources

OpenAlex
Semantic Scholar
Crossref
CORE
arXiv
PubMed

Privacy policy Terms of service

M. Hodošček · SciRah

Researcher profile · Semantic Scholar

M. Hodošček

Share profile

M. Hodošček — researcher profile on SciRah

h-index: 26
Works: 133
Citations: 11K

Most-cited papers

CHARMM: The Biomolecular Simulation Program
B. Brooks, C. Brooks, A. MacKerell, L. Nilsson +31 more
2009Journal of Computational Chemistry8,484 citations Open access
Semantic Scholar
Interfacing Q‐Chem and CHARMM to perform QM/MM reaction path calculations
H. L. Woodcock, M. Hodošček, Andrew T. B. Gilbert, P. Gill +2 more
2007Journal of Computational Chemistry201 citations Open access
Semantic Scholar
Optimization of quantum mechanical molecular mechanical partitioning schemes: Gaussian delocalization of molecular mechanical charges and the double link atom method
D. Das, Kirsten P. Eurenius, E. Billings, P. Sherwood +3 more
2002177 citations
Semantic Scholar
ENZYME MECHANISMS WITH HYBRID QUANTUM AND MOLECULAR MECHANICAL POTENTIALS.I. THEORETICAL CONSIDERATIONS
Kirsten P. Eurenius, D. Chatfield, B. Brooks, M. Hodošček
1996142 citations
Semantic Scholar
A Hybrid QM−MM Potential Employing Hartree−Fock or Density Functional Methods in the Quantum Region
P. Lyne, M. Hodošček, M. Karplus
1999134 citations
Semantic Scholar
Computation of Absolute Hydration and Binding Free Energy with Free Energy Perturbation Distributed Replica-Exchange Molecular Dynamics (FEP/REMD)
Wei Jiang, M. Hodošček, B. Roux
2009Journal of Chemical Theory and Computation128 citations Open access
Semantic Scholar
Exploring the quantum mechanical/molecular mechanical replica path method: a pathway optimization of the chorismate to prephenate Claisen rearrangement catalyzed by chorismate mutase
H. L. Woodcock, M. Hodošček, P. Sherwood, Yong S. Lee +2 more
200396 citations
Semantic Scholar
Strategies in the rational drug design.
T. Mavromoustakos, S. Durdağı, Catherine Koukoulitsa, M. Simčič +3 more
2011Current Medicinal Chemistry94 citations
Semantic Scholar
ENZO: A Web Tool for Derivation and Evaluation of Kinetic Models of Enzyme Catalyzed Reactions
Stas Bevc, Janez Konc, J. Stojan, M. Hodošček +3 more
2011PLoS ONE73 citations Open access
Semantic Scholar
Exploring SCC-DFTB paths for mapping QM/MM reaction mechanisms.
H. L. Woodcock, M. Hodošček, Bernard R. Brooks
2007Journal of Physical Chemistry A71 citations
Semantic Scholar
Targeted molecular dynamics simulation studies of binding and conformational changes in E. coli MurD
A. Perdih, Miha Kotnik, M. Hodošček, T. Šolmajer
2007Proteins: Structure, Function, and Bioinformatics67 citations
Semantic Scholar
Liquid-ordered phase formation in cholesterol/sphingomyelin bilayers: all-atom molecular dynamics simulations.
J. Zidar, F. Merzel, M. Hodošček, K. Rebolj +3 more
2009Journal of Physical Chemistry B55 citations
Semantic Scholar
MSCALE: A General Utility for Multiscale Modeling
H. L. Woodcock, Benjamin T. Miller, M. Hodošček, Asim Okur +3 more
2011Journal of Chemical Theory and Computation52 citations Open access
Semantic Scholar
Structure-Based Function Prediction of Uncharacterized Protein Using Binding Sites Comparison
Janez Konc, M. Hodošček, Mitja Ogrizek, Joanna Trykowska Konc +1 more
2013PLoS Comput. Biol.46 citations Open access
Semantic Scholar
Quantum mechanical investigation of the atmospheric reaction CH3O2 + NO.
A. Lesar, M. Hodošček, E. Drougas, A. Kosmas
2006Journal of Physical Chemistry A40 citations
Semantic Scholar
Double locking of an Escherichia coli promoter by two repressors prevents premature colicin expression and cell lysis
Matej Butala, Silva Sonjak, Simona Kamenšek, M. Hodošček +3 more
2012Molecular Microbiology37 citations Open access
Semantic Scholar
Improving the Performance of Molecular Dynamics Simulations on Parallel Clusters
Urban Borstnik, M. Hodošček, D. Janežič
2004Journal of Chemical Information and Modeling37 citations
Semantic Scholar
Combined X-ray diffraction and QM/MM study of the Burkholderia cepacia lipase-catalyzed secondary alcohol esterification.
M. Luić, Z. Štefanić, Igor Ceilinger, M. Hodošček +5 more
2008Journal of Physical Chemistry B33 citations Open access
Semantic Scholar
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. Dolenc, Urban Borstnik, M. Hodošček, J. Koller +1 more
200532 citations
Semantic Scholar
Efficiently computing pathway free energies: New approaches based on chain-of-replica and Non-Boltzmann Bennett reweighting schemes.
Phillip S. Hudson, Justin K. White, Fiona L. Kearns, M. Hodošček +2 more
2015Biochimica et Biophysica Acta31 citations Open access
Semantic Scholar
Molecular dynamics to enhance structure-based virtual screening on cathepsin B
Mitja Ogrizek, Samo Turk, Samo Lešnik, Izidor Sosič +6 more
2015Journal of Computer-Aided Molecular Design28 citations
Semantic Scholar
Amino acids as corrosion inhibitors for copper in acidic medium: Experimental and theoretical study
I. Milošev, J. Pavlinac, M. Hodošček, A. Lesar
201328 citations Open access
Semantic Scholar
Development and Validation of Empirical Force Field Parameters for Netropsin
U. Bren, M. Hodošček, J. Koller
2005Journal of Chemical Information and Modeling28 citations
Semantic Scholar
Periodic DFT Study of the Pt(111): A p(1×1) Atomic Oxygen Interaction with the Surface
A. Kokalj, A. Lesar, M. Hodošček, M. Causà
199928 citations
Semantic Scholar
Prediction of Enzyme Binding: Human Thrombin Inhibition Study by Quantum Chemical and Artificial Intelligence Methods Based on X-ray Structures
G. Mlinsek, M. Novič, M. Hodošček, T. Šolmajer
2001Journal of chemical information and computer sciences26 citations
Semantic Scholar
Comparison of Three Chain-of-States Methods: Nudged Elastic Band and Replica Path with Restraints or Constraints
Peng Tao, M. Hodošček, Joseph D. Larkin, Yihan Shao +1 more
2012Journal of Chemical Theory and Computation24 citations Open access
Semantic Scholar
Conformational Structure and Energetics of 2-Methylphenyl(2′-methoxyphenyl)iodonium Chloride: Evidence for Solution Clusters
Yong-Sok Lee, M. Hodošček, Joong-Hyun Chun, V. Pike
2010Chemistry21 citations Open access
Semantic Scholar
MurD ligase from E. coli: Tetrahedral intermediate formation study by hybrid quantum mechanical/molecular mechanical replica path method
A. Perdih, M. Hodošček, T. Šolmajer
2009Proteins: Structure, Function, and Bioinformatics20 citations
Semantic Scholar
Unfolding of the cold shock protein studied with biased molecular dynamics
G. Morra, M. Hodošček, E. Knapp
2003Proteins: Structure, Function, and Bioinformatics20 citations
Semantic Scholar
Replica exchanging self-guided Langevin dynamics for efficient and accurate conformational sampling.
Xiong-Wu Wu, M. Hodošček, B. Brooks
2012Journal of Chemical Physics18 citations Open access
Semantic Scholar
Potential Energy Function for Fentanyl-Based Opioid Pain Killers
Samo Lešnik, M. Hodošček, U. Bren, C. Stein +1 more
2020Journal of Chemical Information and Modeling16 citations
Semantic Scholar
NMR and molecular dynamics study of the binding mode of naphthalene-N-sulfonyl-D-glutamic acid derivatives: novel MurD ligase inhibitors.
M. Simčič, M. Hodošček, Jan Humljan, K. Kristan +3 more
2009Journal of Medicinal Chemistry15 citations
Semantic Scholar
Theoretical model calculations of the absolute proton affinities of benzonitrile, nitroso- and nitrobenzene
M. Eckert-maksić, M. Hodošček, D. Kovaček, Z. Maksić +1 more
199715 citations
Semantic Scholar
Modeling a learning organization using a molecular network framework
Matej Janezic, Vlado Dimovski, M. Hodošček
2018Comput. Educ.14 citations
Semantic Scholar
The Binding Mode of Second-Generation Sulfonamide Inhibitors of MurD: Clues for Rational Design of Potent MurD Inhibitors
M. Simčič, Izidor Sosič, M. Hodošček, H. Barreteau +3 more
2012PLoS ONE14 citations Open access
Semantic Scholar
Copper(II) Ion Binding to Cellular Prion Protein
J. Zidar, E. T. Pirc, M. Hodošček, P. Bukovec
2008Journal of Chemical Information and Modeling14 citations
Semantic Scholar
Crystal Structures of Diaryliodonium Fluorides and their Implications for Fluorination Mechanisms
Yong-Sok Lee, Joong-Hyun Chun, M. Hodošček, V. Pike
2017Chemistry13 citations Open access
Semantic Scholar
CHARMM Force-Field Parameters for Morphine, Heroin, and Oliceridine, and Conformational Dynamics of Opioid Drugs
Thomas Giannos, Samo Lešnik, U. Bren, M. Hodošček +2 more
2021Journal of Chemical Information and Modeling12 citations
Semantic Scholar
Intradomain LexA rotation is a prerequisite for DNA binding specificity
Matej Butala, M. Hodošček, G. Anderluh, Z. Podlesek +1 more
2007FEBS Letters12 citations Open access
Semantic Scholar
Prediction of geometries and interaction energies of complexes formed by small molecules using semiempirical and ab initio methods
Xin-Jian Yan, Shaomeng Wang, M. Hodošček, G. Milne
199412 citations
Semantic Scholar
Molecular Dynamics Simulations Reveal Interactions of an IgG1 Antibody With Selected Fc Receptors
Sebastjan Kralj, M. Hodošček, B. Podobnik, T. Kunej +3 more
2021Frontiers in Chemistry11 citations Open access
Semantic Scholar
Simulations of NPC1(NTD):NPC2 Protein Complex Reveal Cholesterol Transfer Pathways
M. Hodošček, Nadia Elghobashi-Meinhardt
2018International Journal of Molecular Sciences11 citations Open access
Semantic Scholar
Electronic structure properties of carbon nanotubes obtained by density functional calculations
Urban Borstnik, M. Hodošček, D. Janežič, I. Lukovits
200511 citations
Semantic Scholar
Structural Insight into the Unique Binding Properties of Pyridylethanol(phenylethyl)amine Inhibitor in Human CYP51
U. Zelenko, M. Hodošček, D. Rozman, S. Grdadolnik
2014Journal of Chemical Information and Modeling10 citations
Semantic Scholar
New force field for calcium binding sites in annexin–membrane complexes
F. Merzel, M. Hodošček, D. Janežič, A. Sanson
2006Journal of Computational Chemistry10 citations
Semantic Scholar
Transition State Structure and Energetics of the N2O + X (X = Cl, Br) Reactions
A. Lesar, M. Hodošček
2002Journal of chemical information and computer sciences10 citations
Semantic Scholar
Computational Chemistry on Commodity-Type Computers
M. Nicklaus, Robert W. Williams, B. Bienfait, Eric S. Billings +1 more
1998Journal of chemical information and computer sciences10 citations
Semantic Scholar
Ab initio MRD-CI study on the low-lying excited states of ClNO2
A. Lesar, M. Hodošček, M. Mühlhäuser, S. Peyerimhoff
20049 citations
Semantic Scholar
CROW for large scale macromolecular simulations.
M. Hodošček, Urban Borstnik, D. Janežič
2002Cellular & Molecular Biology Letters9 citations
Semantic Scholar
Identification of the transition states in the inversion of 1,4-benzodiazepines with the ab initio replica path method.
Yong-Sok Lee, V. Pike, M. Hodošček
2008Journal of Physical Chemistry A8 citations
Semantic Scholar

Frequent co-authors

Invite them to SciRah by sharing their profile.

D. Janežič×11
Invite
D. Janežič — researcher profile on SciRah
B. Brooks×6
Invite
B. Brooks — researcher profile on SciRah
H. L. Woodcock×5
Invite
H. L. Woodcock — researcher profile on SciRah
A. Lesar×5
Invite
A. Lesar — researcher profile on SciRah

×4

Invite

S. Grdadolnik — researcher profile on SciRah

Invite

Janez Konc — researcher profile on SciRah

Urban Borstnik×4

Invite

Urban Borstnik — researcher profile on SciRah

Invite

U. Bren — researcher profile on SciRah

Invite

M. Simčič — researcher profile on SciRah

T. Šolmajer×3

Invite

T. Šolmajer — researcher profile on SciRah

Samo Lešnik×3

Invite

Samo Lešnik — researcher profile on SciRah

Yong-Sok Lee×3

Invite

Yong-Sok Lee — researcher profile on SciRah