Jindřich Fanfrlík

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 29

Top Topics

Crystal Structure

Molecular Dynamics

Energy Transfer

Top Venues

Physical chemistry chemical physics : PCCP

Chemphyschem : a European journal of chemical physics and physical chemistry

ACS infectious diseases

This page only lists publications with an associated author ORCID identifier.

Publications

Adam Pecina, Jindřich Fanfrlík, Martin Lepšík, Jan Řezáč
SQM2.20: Semiempirical quantum-mechanical scoring function yields DFT-quality protein-ligand binding affinity predictions in minutes. Nature communications 15 (1) (2024)
Petra Spiwoková, Martin Horn, Jindřich Fanfrlík, Adéla Jílková, Pavla Fajtová, Adrian Leontovyč, Radka Houštecká, Lucia Bieliková, Jiří Brynda, Marta Chanová, Helena Mertlíková-Kaiserová, Eduardo J E Caro-Diaz, Jehad Almaliti, Nelly El-Sakkary, William H Gerwick, Conor R Caffrey, Michael Mareš
Nature-Inspired Gallinamides Are Potent Antischistosomal Agents: Inhibition of the Cathepsin B1 Protease Target and Binding Mode Analysis. ACS infectious diseases 10 (6) (2024)
Adam Pecina, Jindřich Fanfrlík, Martin Lepšík, Jan Řezáč
SQM2.20: Semiempirical quantum-mechanical scoring function yields DFT-quality protein-ligand binding affinity predictions in minutes. Nature communications 15 (1) (2024)
Petra Spiwoková, Martin Horn, Jindřich Fanfrlík, Adéla Jílková, Pavla Fajtová, Adrian Leontovyč, Radka Houštecká, Lucia Bieliková, Jiří Brynda, Marta Chanová, Helena Mertlíková-Kaiserová, Eduardo J E Caro-Diaz, Jehad Almaliti, Nelly El-Sakkary, William H Gerwick, Conor R Caffrey, Michael Mareš
Nature-Inspired Gallinamides Are Potent Antischistosomal Agents: Inhibition of the Cathepsin B1 Protease Target and Binding Mode Analysis. ACS infectious diseases (2024)
Petra Spiwoková, Martin Horn, Jindřich Fanfrlík, Adéla Jílková, Pavla Fajtová, Adrian Leontovyč, Radka Houštecká, Lucia Bieliková, Jiří Brynda, Marta Chanová, Helena Mertlíková-Kaiserová, Eduardo J E Caro-Diaz, Jehad Almaliti, Nelly El-Sakkary, William H Gerwick, Conor R Caffrey, Michael Mareš
Nature-Inspired Gallinamides Are Potent Antischistosomal Agents: Inhibition of the Cathepsin B1 Protease Target and Binding Mode Analysis. ACS infectious diseases 10 (6) (2024)
Petra Spiwoková, Martin Horn, Jindřich Fanfrlík, Adéla Jílková, Pavla Fajtová, Adrian Leontovyč, Radka Houštecká, Lucia Bieliková, Jiří Brynda, Marta Chanová, Helena Mertlíková-Kaiserová, Eduardo J E Caro-Diaz, Jehad Almaliti, Nelly El-Sakkary, William H Gerwick, Conor R Caffrey, Michael Mareš
Nature-Inspired Gallinamides Are Potent Antischistosomal Agents: Inhibition of the Cathepsin B1 Protease Target and Binding Mode Analysis. ACS infectious diseases 10 (6) (2024)
Adam Pecina, Jindřich Fanfrlík, Martin Lepšík, Jan Řezáč
SQM2.20: Semiempirical quantum-mechanical scoring function yields DFT-quality protein-ligand binding affinity predictions in minutes. Nature communications 15 (1) (2024)
Willi Keller, Menyhárt B Sárosi, Jindřich Fanfrlík, Michal Straka, Josef Holub, Michael L McKee, Drahomír Hnyk
Boron-based octahedral dication experimentally detected: DFT surface confirms its availability. RSC advances 13 (28) (2023)
Jindřich Fanfrlík, Jiří Brynda, Michael Kugler, Martin Lepsik, Klára Pospíšilová, Josef Holub, Drahomír Hnyk, Jan Nekvinda, Bohumir Grüner, Pavlína Řezáčová
B-H⋯π and C-H⋯π interactions in protein-ligand complexes: carbonic anhydrase II inhibition by carborane sulfonamides. Physical chemistry chemical physics : PCCP 25 (3) (2023)
Jindřich Fanfrlík, Jiří Brynda, Michael Kugler, Martin Lepsik, Klára Pospíšilová, Josef Holub, Drahomír Hnyk, Jan Nekvinda, Bohumir Grüner, Pavlína Řezáčová
B-H⋯π and C-H⋯π interactions in protein-ligand complexes: carbonic anhydrase II inhibition by carborane sulfonamides. Physical chemistry chemical physics : PCCP (2023)
Jindřich Fanfrlík, Jiří Brynda, Michael Kugler, Martin Lepsik, Klára Pospíšilová, Josef Holub, Drahomír Hnyk, Jan Nekvinda, Bohumir Grüner, Pavlína Řezáčová
B-H⋯π and C-H⋯π interactions in protein-ligand complexes: carbonic anhydrase II inhibition by carborane sulfonamides. Physical chemistry chemical physics : PCCP 25 (3) (2023)
Jindřich Fanfrlík, Jiří Brynda, Michael Kugler, Martin Lepsik, Klára Pospíšilová, Josef Holub, Drahomír Hnyk, Jan Nekvinda, Bohumir Grüner, Pavlína Řezáčová
B-H⋯π and C-H⋯π interactions in protein-ligand complexes: carbonic anhydrase II inhibition by carborane sulfonamides. Physical chemistry chemical physics : PCCP 25 (3) (2023)
Willi Keller, Menyhárt B Sárosi, Jindřich Fanfrlík, Michal Straka, Josef Holub, Michael L McKee, Drahomír Hnyk
Boron-based octahedral dication experimentally detected: DFT surface confirms its availability. RSC advances 13 (28) (2023)
Willi Keller, Matthias Hofmann, Hubert Wadepohl, Markus Enders, Jindřich Fanfrlík, Drahomír Hnyk
Chlorinated polyhedral selenaboranes revisited by joint experimental/computational efforts: the formation of closo -1-SeB 9 Cl 9 and the crystal structure of closo -SeB 11 Cl 11 . Dalton transactions (Cambridge, England : 2003) (2023)
Willi Keller, Menyhárt B Sárosi, Jindřich Fanfrlík, Michal Straka, Josef Holub, Michael L McKee, Drahomír Hnyk
Boron-based octahedral dication experimentally detected: DFT surface confirms its availability. RSC advances 13 (28) (2023)
Willi Keller, Matthias Hofmann, Menyhárt-Botond Sárosi, Jindřich Fanfrlík, Drahomír Hnyk
Reactivity of Perhalogenated Octahedral Phospha- and Arsaboranes toward THF: A Joint Experimental/Computational Study. Inorganic chemistry 61 (42) (2022)
Ishak Kovač, Michal Jakl, Jindřich Fanfrlík, Valery Andrushchenko, Jana Jaklová Dytrtová
Complexation and stability of the fungicide penconazole in the presence of zinc and copper ions. Rapid communications in mass spectrometry : RCM 34 (9) (2020)
Adam Pecina, Saltuk M Eyrilmez, Cemal Köprülüoğlu, Vijay Madhav Miriyala, Martin Lepsik, Jindřich Fanfrlík, Jan Řezáč, Pavel Hobza
SQM/COSMO Scoring Function: Reliable Quantum-Mechanical Tool for Sampling and Ranking in Structure-Based Drug Design. ChemPlusChem 85 (11) (2020)
Khaleel I Assaf, Josef Holub, Eduard Bernhardt, Josep M Oliva-Enrich, M Isabel Fernández Pérez, Moisés Canle, Juan Arturo Santaballa, Jindřich Fanfrlík, Drahomír Hnyk, Werner M Nau
Face-Fusion of Icosahedral Boron Hydride Increases Affinity to γ-Cyclodextrin: closo,closo-[B21 H18 ]- as an Anion with Very Low Free Energy of Dehydration. Chemphyschem : a European journal of chemical physics and physical chemistry 21 (10) (2020)
Adam Pecina, Saltuk M Eyrilmez, Cemal Köprülüoğlu, Vijay Madhav Miriyala, Martin Lepsik, Jindřich Fanfrlík, Jan Řezáč, Pavel Hobza
SQM/COSMO Scoring Function: Reliable Quantum-Mechanical Tool for Sampling and Ranking in Structure-Based Drug Design. ChemPlusChem 85 (11) (2020)
Jindřich Fanfrlík, Adam Pecina, Jan Řezáč, Martin Lepsik, Menyhárt-Botond Sárosi, Drahomír Hnyk, Pavel Hobza
Benchmark Data Sets of Boron Cluster Dihydrogen Bonding for the Validation of Approximate Computational Methods. Chemphyschem : a European journal of chemical physics and physical chemistry 21 (23) (2020)
Jindřich Fanfrlík, Drahomír Hnyk, Pavel Hobza
Chalcogen Bonding due to the Exo-Substitution of Icosahedral Dicarbaborane. Molecules (Basel, Switzerland) 24 (14) (2019)
Tomáš Baše, Josef Holub, Jindřich Fanfrlík, Drahomír Hnyk, Paul D Lane, Derek A Wann, Yury V Vishnevskiy, Denis Tikhonov, Christian G Reuter, Norbert W Mitzel
Icosahedral Carbaboranes with Peripheral Hydrogen-Chalcogenide Groups: Structures from Gas Electron Diffraction and Chemical Shielding in Solution. Chemistry (Weinheim an der Bergstrasse, Germany) 25 (9) (2019)
Michal Jakl, Jindřich Fanfrlík, Jana Jaklová Dytrtová
Mimicking of cyproconazole behavior in the presence of Cu and Zn. Rapid communications in mass spectrometry : RCM 31 (23) (2018)
Adam Pecina, Jiří Brynda, Lukáš Vrzal, Ramachandran Gnanasekaran, Magdalena Hořejší, Saltuk M Eyrilmez, Jan Řezáč, Martin Lepšík, Pavlína Řezáčová, Pavel Hobza, Pavel Majer, Václav Veverka, Jindřich Fanfrlík
Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes. Chemphyschem : a European journal of chemical physics and physical chemistry 19 (7) (2018)
Mario Bakardjiev, Oleg L Tok, Aleš RůŽička, Zdeňka RůŽičková, Josef Holub, Drahomír Hnyk, Zbyněk Špalt, Jindřich Fanfrlík, Bohumil Štíbr
Methyl camouflage in the ten-vertex closo-dicarbaborane(10) series. Isolation of closo-1,6-R2C2B8Me8 (R = H and Me) and their monosubstituted analogues. Dalton transactions (Cambridge, England : 2003) 47 (32) (2018)
Mario Bakardjiev, Oleg L Tok, Aleš RůŽička, Zdeňka Růžičková, Josef Holub, Drahomír Hnyk, Jindřich Fanfrlík, Bohumil Štíbr
Quantitative syntheses of permethylated closo -1,10-R 2 C 2 B 8 Me 8 (R = H, Me) carboranes. Egg-shaped hydrocarbons on the Frontier between inorganic and organic chemistry. RSC advances 8 (67) (2018)
Klára Melánová, Josef Holub, Jan Hynek, Jindřich Fanfrlík, Ludvík Beneš, Petr Kutálek, Anna Krejčová, Drahomír Hnyk, Vítězslav Zima
Outerly functionalized and non-functionalized boron clusters intercalated into layered hydroxides with different modes of binding: materials for superacid storage. Dalton transactions (Cambridge, England : 2003) 47 (33) (2018)
Jindřich Fanfrlík, Josef Holub, Zdeňka Růžičková, Jan Řezáč, Paul D Lane, Derek A Wann, Drahomír Hnyk, Aleš Růžička, Pavel Hobza
Competition between Halogen, Hydrogen and Dihydrogen Bonding in Brominated Carboranes. Chemphyschem : a European journal of chemical physics and physical chemistry 17 (21) (2016)