Milan Hodošček - Publications, H-index & Citations

Milan Hodošček

Argonne National Laboratory

26H指数

102论文数

1.1W被引数

收录论文 33

发表时间

Identification of Triazolopyrimidinyl Scaffold SARS-CoV-2 Papain-Like Protease (PLpro) Inhibitor SARS-CoV-2木瓜蛋白酶样蛋白酶 (PLpro) 抑制剂的三唑并嘧啶基支架的鉴定

PHARMACEUTICS

IF5.5

2024-01-25

OAAI

Kralj, Sebastjan; Jukic, Marko; Bahun, Miha; Kranjc, Luka; Kolaric, Anja; Hodoscek, Milan; Ulrih, Natasa Poklar; Bren, Urban

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

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2021-08-05

PREAI

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

Molecular Dynamics Simulations Reveal Interactions of an IgG1 Antibody With Selected Fc Receptors

FRONTIERS IN CHEMISTRY

IF4.2

2021-07-02

OAAI

Kralj, Sebastjan; Hodoscek, Milan; Podobnik, Barbara; Kunej, Tanja; Bren, Urban; Janezic, Dusanka; Konc, Janez

Potential Energy Function for Fentanyl-Based Opioid Pain Killers

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2020-06-03

PREAI

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

Loop Grafting between Similar Local Environments for Fc-Silent Antibodies

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2020-05-07

OAAI

Lesnik, Samo; Hodoscek, Milan; Podobnik, Barbara; Konc, Janez

The redox-coupled proton-channel opening in cytochrome c oxidase

CHEMICAL SCIENCE

IF7.4

2020-01-01

OAAI

Wolf, Alexander; Dragelj, Jovan; Wonneberg, Juliane; Stellmacher, Johannes; Balke, Jens; Woelke, Anna Lena; Hodoscek, Milan; Knapp, Ernst Walter; Alexiev, Ulrike

Modeling a learning organization using a molecular network framework

COMPUTERS & EDUCATION

IF10.5

2018-03-01

PREAI

Janezic, Matej; Dimovski, Vlado; Hodoscek, Milan

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

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

IF3.1

2015-05-07

PREAI

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

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

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2014-12-05

PREAI

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

Ligand Binding Site Identification by Higher Dimension Molecular Dynamics

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2013-02-20

OAAI

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

Comparison of Three Chain-of-States Methods: Nudged Elastic Band and Replica Path with Restraints or Constraints

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2012-10-12

OAAI

Tao, Peng; Hodoscek, Milan; Larkin, Joseph D.; Shao, Yihan; Brooks, Bernard R.

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

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2012-10-08

OAAI

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

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

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2012-07-24

OAAI

Wu, Xiongwu; Hodoscek, Milan; Brooks, Bernard R.

Replica Exchange of Self-Guided Langevin Dynamics Simulation

BIOPHYSICAL JOURNAL

IF3.1

2012-01-01

OAAI

Wu, Xiongwu; Hodoscek, Milan; Brooks, Bernard R.

Strategies in the Rational Drug Design 合理药物设计中的策略

CURRENT MEDICINAL CHEMISTRY

IF3.5

2011-06-01

PREAI

Mavromoustakos, T.; Durdagi, S.; Koukoulitsa, C.; Simcic, M.; Papadopoulos, M. G.; Hodoscek, M.; Grdadolnik, S. Golic

MSCALE: A General Utility for Multiscale Modeling

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2011-03-25

OAAI

Woodcock, H. Lee; Miller, Benjamin T.; Hodoscek, Milan; Okur, Asim; Larkin, Joseph D.; Ponder, Jay W.; Brooks, Bernard R.

Computation of Absolute Hydration and Binding Free Energy with Free Energy Perturbation Distributed Replica-Exchange Molecular Dynamics

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2009-08-27

139

OAAI

Jiang, Wei; Hodoscek, Milan; Roux, Benoit

CHARMM: The Biomolecular Simulation Program CHARMM: 生物分子模拟程序

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2009-05-14

7.7K

OAAI

Brooks, B. R.; Brooks, C. L., III; Mackerell, A. D., Jr.; Nilsson, L.; Petrella, R. J.; Roux, B.; Won, Y.; Archontis, G.; Bartels, C.; Boresch, S.; Caflisch, A.; Caves, L.; Cui, Q.; Dinner, A. R.; Feig, M.; Fischer, S.; Gao, J.; Hodoscek, M.; Im, W.; Kuczera, K.; Lazaridis, T.; Ma, J.; Ovchinnikov, V.; Paci, E.; Pastor, R. W.; Post, C. B.; Pu, J. Z.; Schaefer, M.; Tidor, B.; Venable, R. M.; Woodcock, H. L.; Wu, X.; Yang, W.; York, D. M.; Karplus, M.

NMR and Molecular Dynamics Study of the Binding Mode of Naphthalene-N-sulfonyl-D-glutamic Acid Derivatives: Novel MurD Ligase Inhibitors

JOURNAL OF MEDICINAL CHEMISTRY

IF6.8

2009-04-09

PREAI

Simcic, Mihael; Hodoscek, Milan; Humljan, Jan; Kristan, Katja; Urleb, Uros; Kocjan, Darko; Grdadolnik, Simona Golic

Bound Ligand Conformer Revealed by Flexible Structure Alignment in Absence of Crystal Structures: Indirect Drug Design Probed for HIV-1 Protease Inhibitors

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2009-02-23

PREAI

Juneja, Alok; Riedesel, Henning; Hodoscek, Milan; Knapp, E. W.

研究方向