Journal of molecular liquids

Keyphrases

Publications

volume 404, 2024

Meghan H O'Brien, Radha Ranganathan, Dalibor Merunka, Alexander K Stafford, Steven D Bleecker, Miroslav Peric
Effect of Charge on the Rotation of Prolate Nitroxide Spin Probes in Room-Temperature Ionic Liquids. Journal of molecular liquids 404 (2024)
Meghan H O'Brien, Radha Ranganathan, Dalibor Merunka, Alexander K Stafford, Steven D Bleecker, Miroslav Peric
Effect of Charge on the Rotation of Prolate Nitroxide Spin Probes in Room-Temperature Ionic Liquids. Journal of molecular liquids 404 (2024)
Meghan H O'Brien, Radha Ranganathan, Dalibor Merunka, Alexander K Stafford, Steven D Bleecker, Miroslav Peric
Effect of Charge on the Rotation of Prolate Nitroxide Spin Probes in Room-Temperature Ionic Liquids. Journal of molecular liquids 404 (2024)

volume 386, 2023

Jiří Škvára, Ivo Nezbeda, Tomaz Urbic
Supercooled water in two dimensions: Structure and thermodynamics of the Mercedes-Benz model. Journal of molecular liquids 386 (2023)
Sandi Brudar, Barbara Hribar-Lee
The mechanism of self-association of human γ -D crystallin from molecular dynamics simulations. Journal of molecular liquids 386 (2023)
Sandi Brudar, Barbara Hribar-Lee
The mechanism of self-association of human γ -D crystallin from molecular dynamics simulations. Journal of molecular liquids 386 (2023)
Sandi Brudar, Barbara Hribar-Lee
The mechanism of self-association of human γ -D crystallin from molecular dynamics simulations. Journal of molecular liquids 386 (2023)

volume 385, 2023

Yanni Guo, Deliang He
Preparation of a novel poly-(di-ionic liquid)/BDD-modified electrode for the detection of tetrachloro- p -benzoquinone. Journal of molecular liquids 385 (2023)

volume 384, 2023

Peter Ogrin, Tomaz Urbic
Hierarchy of anomalies in the simple rose model of water. Journal of molecular liquids 384 (2023)
Peter Ogrin, Tomaz Urbic
Hierarchy of anomalies in the simple rose model of water. Journal of molecular liquids 384 (2023)
Peter Ogrin, Tomaz Urbic
Hierarchy of anomalies in the simple rose model of water. Journal of molecular liquids 384 (2023)

volume 383, 2023

Madhur Babu Singh, Pooja Bhagat, Pallavi Jain, Prashant Singh
Exploration of DFT and TD-DFT computation to investigate the interaction between paracetamol and lithium or its compounds. Journal of molecular liquids 383 (2023)

volume 382, 2023

Amina Rafique, Shabbir Muhammad, Javed Iqbal, Abdullah G Al-Sehemi, Mohammad Y Alshahrani, Khurshid Ayub, Mazhar Amjad Gilani
Exploring the inhibitory potential of novel piperidine-derivatives against main protease (M pro ) of SARS-CoV-2: A hybrid approach consisting of molecular docking, MD simulations and MMPBSA analysis. Journal of molecular liquids 382 (2023)
Amina Rafique, Shabbir Muhammad, Javed Iqbal, Abdullah G Al-Sehemi, Mohammad Y Alshahrani, Khurshid Ayub, Mazhar Amjad Gilani
Exploring the inhibitory potential of novel piperidine-derivatives against main protease (M pro ) of SARS-CoV-2: A hybrid approach consisting of molecular docking, MD simulations and MMPBSA analysis. Journal of molecular liquids 382 (2023)
Amina Rafique, Shabbir Muhammad, Javed Iqbal, Abdullah G Al-Sehemi, Mohammad Y Alshahrani, Khurshid Ayub, Mazhar Amjad Gilani
Exploring the inhibitory potential of novel piperidine-derivatives against main protease (M pro ) of SARS-CoV-2: A hybrid approach consisting of molecular docking, MD simulations and MMPBSA analysis. Journal of molecular liquids 382 (2023)
Amina Rafique, Shabbir Muhammad, Javed Iqbal, Abdullah G Al-Sehemi, Mohammad Y Alshahrani, Khurshid Ayub, Mazhar Amjad Gilani
Exploring the inhibitory potential of novel piperidine-derivatives against main protease (M pro ) of SARS-CoV-2: A hybrid approach consisting of molecular docking, MD simulations and MMPBSA analysis. Journal of molecular liquids 382 (2023)

volume 379, 2023

Xinyue Sun, Yuan Li, Haiyang Yu, Xiaoning Jin, Xiaofei Ma, Yue Cheng, Yuping Wei, Yong Wang
Evaluation on the inclusion behavior of β-cyclodextrins with lycorine and its hydrochloride. Journal of molecular liquids 379 (2023)
Xinyue Sun, Yuan Li, Haiyang Yu, Xiaoning Jin, Xiaofei Ma, Yue Cheng, Yuping Wei, Yong Wang
Evaluation on the inclusion behavior of β-cyclodextrins with lycorine and its hydrochloride. Journal of molecular liquids 379 (2023)

volume 377, 2023

Sonaimuthu Mohandoss, Kuppu Sakthi Velu, Thambusamy Stalin, Naushad Ahmad, Suliman Yousef Alomar, Yong Rok Lee
Tenofovir antiviral drug solubility enhancement with β-cyclodextrin inclusion complex and in silico study of potential inhibitor against SARS-CoV-2 main protease (M pro ). Journal of molecular liquids 377 (2023)
Sonaimuthu Mohandoss, Kuppu Sakthi Velu, Thambusamy Stalin, Naushad Ahmad, Suliman Yousef Alomar, Yong Rok Lee
Tenofovir antiviral drug solubility enhancement with β-cyclodextrin inclusion complex and in silico study of potential inhibitor against SARS-CoV-2 main protease (M pro ). Journal of molecular liquids 377 (2023)
Sonaimuthu Mohandoss, Kuppu Sakthi Velu, Thambusamy Stalin, Naushad Ahmad, Suliman Yousef Alomar, Yong Rok Lee
Tenofovir antiviral drug solubility enhancement with β-cyclodextrin inclusion complex and in silico study of potential inhibitor against SARS-CoV-2 main protease (M pro ). Journal of molecular liquids 377 (2023)
Sonaimuthu Mohandoss, Kuppu Sakthi Velu, Thambusamy Stalin, Naushad Ahmad, Suliman Yousef Alomar, Yong Rok Lee
Tenofovir antiviral drug solubility enhancement with β-cyclodextrin inclusion complex and in silico study of potential inhibitor against SARS-CoV-2 main protease (M pro ). Journal of molecular liquids 377 (2023)
Sonaimuthu Mohandoss, Kuppu Sakthi Velu, Thambusamy Stalin, Naushad Ahmad, Suliman Yousef Alomar, Yong Rok Lee
Tenofovir antiviral drug solubility enhancement with β-cyclodextrin inclusion complex and in silico study of potential inhibitor against SARS-CoV-2 main protease (M pro ). Journal of molecular liquids 377 (2023)

volume 375, 2023

Mohsen Yazdani, Ameneh Jafari, Soodeh Mahdian, Mohsen Namazi, Sajjad Gharaghani
Rational approaches to discover SARS-CoV-2/ACE2 interaction inhibitors: Pharmacophore-based virtual screening, molecular docking, molecular dynamics and binding free energy studies. Journal of molecular liquids 375 (2023)
Mohsen Yazdani, Ameneh Jafari, Soodeh Mahdian, Mohsen Namazi, Sajjad Gharaghani
Rational approaches to discover SARS-CoV-2/ACE2 interaction inhibitors: Pharmacophore-based virtual screening, molecular docking, molecular dynamics and binding free energy studies. Journal of molecular liquids 375 (2023)
Mohsen Yazdani, Ameneh Jafari, Soodeh Mahdian, Mohsen Namazi, Sajjad Gharaghani
Rational approaches to discover SARS-CoV-2/ACE2 interaction inhibitors: Pharmacophore-based virtual screening, molecular docking, molecular dynamics and binding free energy studies. Journal of molecular liquids 375 (2023)
Mohsen Yazdani, Ameneh Jafari, Soodeh Mahdian, Mohsen Namazi, Sajjad Gharaghani
Rational approaches to discover SARS-CoV-2/ACE2 interaction inhibitors: Pharmacophore-based virtual screening, molecular docking, molecular dynamics and binding free energy studies. Journal of molecular liquids 375 (2023)

volume 374, 2023

Hong Li, Akari Komori, Mingdi Li, Xiaomei Chen, Angela Wei Hong Yang, Xiaomin Sun, Yanyan Liu, Andrew Hung, Xiaoshan Zhao, Lin Zhou
Multi-ligand molecular docking, simulation, free energy calculations and wavelet analysis of the synergistic effects between natural compounds baicalein and cubebin for the inhibition of the main protease of SARS-CoV-2. Journal of molecular liquids 374 (2023)
Hong Li, Akari Komori, Mingdi Li, Xiaomei Chen, Angela Wei Hong Yang, Xiaomin Sun, Yanyan Liu, Andrew Hung, Xiaoshan Zhao, Lin Zhou
Multi-ligand molecular docking, simulation, free energy calculations and wavelet analysis of the synergistic effects between natural compounds baicalein and cubebin for the inhibition of the main protease of SARS-CoV-2. Journal of molecular liquids 374 (2023)

volume 371, 2022

volume 368, number A, 2022

Harshdeep Kaur, Rahul Garg, Sajan Singh, Atanu Jana, Chinna Bathula, Hyun-Seok Kim, Sangamesh G Kumbar, Mona Mittal
Progress and challenges of graphene and its congeners for biomedical applications. Journal of molecular liquids 368 (A) (2022)
Harshdeep Kaur, Rahul Garg, Sajan Singh, Atanu Jana, Chinna Bathula, Hyun-Seok Kim, Sangamesh G Kumbar, Mona Mittal
Progress and challenges of graphene and its congeners for biomedical applications. Journal of molecular liquids 368 (A) (2022)
Harshdeep Kaur, Rahul Garg, Sajan Singh, Atanu Jana, Chinna Bathula, Hyun-Seok Kim, Sangamesh G Kumbar, Mona Mittal
Progress and challenges of graphene and its congeners for biomedical applications. Journal of molecular liquids 368 (A) (2022)
Harshdeep Kaur, Rahul Garg, Sajan Singh, Atanu Jana, Chinna Bathula, Hyun-Seok Kim, Sangamesh G Kumbar, Mona Mittal
Progress and challenges of graphene and its congeners for biomedical applications. Journal of molecular liquids 368 (A) (2022)
Harshdeep Kaur, Rahul Garg, Sajan Singh, Atanu Jana, Chinna Bathula, Hyun-Seok Kim, Sangamesh G Kumbar, Mona Mittal
Progress and challenges of graphene and its congeners for biomedical applications. Journal of molecular liquids 368 (A) (2022)

volume 368, number Pt A, 2022

Paulina Pršlja, Taja Žibert, Tomaz Urbic
Monte Carlo simulations of simple two dimensional water-alcohol mixtures. Journal of molecular liquids 368 (Pt A) (2022)
Peter Ogrin, Tomaz Urbic
Rose water in random porous media: Associative replica Ornstein-Zernike theory study. Journal of molecular liquids 368 (Pt A) (2022)

volume 368, 2022

Abeer A Sharfalddin, Enas Inas Muta'eb Alyounis, Abdul-Hamid Emwas, Mariusz Jaremko
Biological efficacy of novel metal complexes of Nitazoxanide: Synthesis, characterization, anti-COVID-19, antioxidant, antibacterial and anticancer activity studies. Journal of molecular liquids 368 (2022)

volume 367, number Pt A, 2022

Tadeja Gao, Jean-Pierre Korb, Miha Lukšič, Guillaume Mériguet, Natalie Malikova, Anne-Laure Rollet
Ion influence on surface water dynamics and proton exchange at protein surfaces - A unified model for transverse and longitudinal NMR relaxation dispersion. Journal of molecular liquids 367 (Pt A) (2022)

volume 367, 2022

Sreya Sreekumar, Abhaykumar M Kuthe, Satyendra Chandra Tripathi, Ganesh C Patil, C Ravikumar
Integrated computational approach towards identification of HSPG and ACE2 mimicking moieties for SARS-CoV-2 inhibition. Journal of molecular liquids 367 (2022)
Jigar S Bhanushali, Sonali S Bharate
Estimating thermodynamic equilibrium solubility and solute-solvent interactions of niclosamide in eight mono-solvents at different temperatures. Journal of molecular liquids 367 (2022)

volume 366, 2022

Barbara Hribar-Lee
The influence of excipients on the viscosity of monoclonal antibody solutions. Journal of molecular liquids 366 (2022)
Barbara Hribar-Lee
The influence of excipients on the viscosity of monoclonal antibody solutions. Journal of molecular liquids 366 (2022)
Sonaimuthu Mohandoss, Ramaraj Sukanya, Sivarasan Ganesan, Fatemah H Alkallas, Amira Ben Gouider Trabelsi, Fedor V Kusmartsev, Kuppu Sakthi Velu, Thambusamy Stalin, Huang-Mu Lo, Yong Rok Lee
SARS-CoV-2 main protease (3CL pro ) interaction with acyclovir antiviral drug/methyl-β-cyclodextrin complex: Physiochemical characterization and molecular docking. Journal of molecular liquids 366 (2022)
Barbara Hribar-Lee
The influence of excipients on the viscosity of monoclonal antibody solutions. Journal of molecular liquids 366 (2022)
Barbara Hribar-Lee
The influence of excipients on the viscosity of monoclonal antibody solutions. Journal of molecular liquids 366 (2022)
Barbara Hribar-Lee
The influence of excipients on the viscosity of monoclonal antibody solutions. Journal of molecular liquids 366 (2022)

volume 363, 2022

Moamen S Refat, Bander Albogami, Abdel Majid A Adam, Hosam A Saad, Amnah Mohammed Alsuhaibani, Lal Miyan, Mohamed S Hegab
Charge-transfer chemistry of two corticosteroids used adjunctively to treat COVID-19. Part II: The CT reaction of hydrocortisone and dexamethasone donors with TCNQ and fluoranil acceptors in five organic solvents. Journal of molecular liquids 363 (2022)