Jonathan F Lovell (Mikko Karttunen)

Scopus Author ID ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 57

Top Venues

Journal of chemical information and modeling

The journal of physical chemistry. B

Polymers

International journal of molecular sciences

Western University

McGill University (PHD)

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

Affiliation History

Western University Feb 01 2017

Canada

Professor / Canada Research Chair (Tier 1) in Computational Materials and Biomaterials Research :: Chemistry and Applied Mathematics

Technische Universiteit Eindhoven - Jan 31 2017

Netherlands

Professor :: Mathematics and Computer Science & Institute for Complex Molecular Systems

University of Waterloo - May 17 2016

Canada

Professor :: Chemistry & Waterloo Institute for Nanotechnology

Western University Jul 01 2008 - Aug 31 2011

Canada

Associate Professor :: Applied Mathematics

Western University Jan 01 2006 - Jun 30 2008

Canada

Assistant Professor :: Applied Mathematics

Aalto-yliopisto

Finland

Academy of Finland Research Fellow :: Laboratory of Computational Engineering

Aalto-yliopisto

Finland

Senior Researcher :: Laboratory of Computational Engineering

Max-Planck-Institut für Polymerforschung

Germany

Postdoctoral fellow :: Theory Division

Education History

McGill University

Canada

PHD :: Physics

Tampere University of Technology

Finland

MSC

Publications

Anupom Roy, Jonathan F Lovell
A Molecular Dynamics Simulation Study of the Effects of βGln114 Mutation on the Dynamic Behavior of the Catalytic Site of the Tryptophan Synthase. Journal of chemical information and modeling 64 (3) (2024)
Anupom Roy, Jonathan F Lovell
A Molecular Dynamics Simulation Study of the Effects of βGln114 Mutation on the Dynamic Behavior of the Catalytic Site of the Tryptophan Synthase. Journal of chemical information and modeling 64 (3) (2024)
Alireza Fazeli, Vaibhav Thakore, Tapio Ala-Nissila, Jonathan F Lovell
Non-Stokesian dynamics of magnetic helical nanoswimmers under confinement. PNAS nexus 3 (5) (2024)
Phansiri Boonnoy, Minchakarn Janlad, Behnaz Bagheri, Cristiano Dias, Jonathan F Lovell, Jirasak Wong-Ekkabut
Cholesterol inhibits oxygen permeation through biological membranes: mechanism against double-bond peroxidation. RSC advances 14 (40) (2024)
John L Lortie, Matthew Davies, Paul D Boyle, Jonathan F Lovell, Paul J Ragogna
Chemoselective Staudinger Reactivity of Bis(azido)phosphines Supported with a π-Donating Imidazolin-2-iminato Ligand. Inorganic chemistry (2024)
Anupom Roy, Jonathan F Lovell
A Molecular Dynamics Simulation Study of the Effects of βGln114 Mutation on the Dynamic Behavior of the Catalytic Site of the Tryptophan Synthase. Journal of chemical information and modeling (2024)
Anupom Roy, Jonathan F Lovell
A Molecular Dynamics Simulation Study of the Effects of βGln114 Mutation on the Dynamic Behavior of the Catalytic Site of the Tryptophan Synthase. Journal of chemical information and modeling 64 (3) (2024)
Anupom Roy, Jonathan F Lovell
A Molecular Dynamics Simulation Study of the Effects of βGln114 Mutation on the Dynamic Behavior of the Catalytic Site of the Tryptophan Synthase. Journal of chemical information and modeling 64 (3) (2024)
Alireza Fazeli, Vaibhav Thakore, Tapio Ala-Nissila, Jonathan F Lovell
Non-Stokesian dynamics of magnetic helical nanoswimmers under confinement. PNAS nexus 3 (5) (2024)
John L Lortie, Matthew Davies, Paul D Boyle, Jonathan F Lovell, Paul J Ragogna
Chemoselective Staudinger Reactivity of Bis(azido)phosphines Supported with a π-Donating Imidazolin-2-iminato Ligand. Inorganic chemistry 63 (14) (2024)
Carter J Wilson, Jonathan F Lovell, Bert L de Groot, Vytautas Gapsys
Accurately Predicting Protein p K a Values Using Nonequilibrium Alchemy. Journal of chemical theory and computation (2023)
Behnaz Bagheri, Phansiri Boonnoy, Jirasak Wong-Ekkabut, Jonathan F Lovell
Effect of oxidation on POPC lipid bilayers: anionic carboxyl group plays a major role. Physical chemistry chemical physics : PCCP (2023)
Rohoullah Firouzi, Shahin Sowlati-Hashjin, Cecilia Chávez-García, Mitra Ashouri, Mohammad Hossein Karimi-Jafari, Jonathan F Lovell
Identification of Catechins' Binding Sites in Monomeric A β 42 through Ensemble Docking and MD Simulations. International journal of molecular sciences 24 (9) (2023)
Vojtech Šadek, Shahin Sowlati-Hashjin, SeyedAbdolreza Sadjadi, Jonathan F Lovell, Angel Martin Pendás, Cina Foroutan-Nejad
Reply to: On the existence of collective interactions reinforcing the metal-ligand bond in organometallic compounds. Nature communications 14 (1) (2023)
Rohoullah Firouzi, Shahin Sowlati-Hashjin, Cecilia Chávez-García, Mitra Ashouri, Mohammad Hossein Karimi-Jafari, Jonathan F Lovell
Identification of Catechins' Binding Sites in Monomeric A β 42 through Ensemble Docking and MD Simulations. International journal of molecular sciences 24 (9) (2023)
Sepideh Soltani, Shahin Sowlati-Hashjin, Conrard Giresse Tetsassi Feugmo, Jonathan F Lovell
Structural Investigation of DHICA Eumelanin Using Density Functional Theory and Classical Molecular Dynamics Simulations. Molecules (Basel, Switzerland) 27 (23) (2022)
Sepideh Soltani, Shahin Sowlati-Hashjin, Conrard Giresse Tetsassi Feugmo, Jonathan F Lovell
Free Energy and Stacking of Eumelanin Nanoaggregates. The journal of physical chemistry. B 126 (8) (2022)
Sepideh Soltani, Shahin Sowlati-Hashjin, Conrard Giresse Tetsassi Feugmo, Jonathan F Lovell
Structural Investigation of DHICA Eumelanin Using Density Functional Theory and Classical Molecular Dynamics Simulations. Molecules (Basel, Switzerland) 27 (23) (2022)
Dmitry A Tolmachev, Natalia Lukasheva, Ruslan Ramazanov, Victor M Nazarychev, Natalia Borzdun, Igor V Volgin, Maria Andreeva, Artyom Glova, Sofia Melnikova, Alexey Dobrovskiy, Steven A Silber, Sergey V Larin, Rafael Maglia de Souza, Mauro Carlos Costa Ribeiro, Sergey V Lyulin, Jonathan F Lovell
Computer Simulations of Deep Eutectic Solvents: Challenges, Solutions, and Perspectives. International journal of molecular sciences 23 (2) (2022)
Sepideh Soltani, Shahin Sowlati-Hashjin, Conrard Giresse Tetsassi Feugmo, Jonathan F Lovell
Structural Investigation of DHICA Eumelanin Using Density Functional Theory and Classical Molecular Dynamics Simulations. Molecules (Basel, Switzerland) 27 (23) (2022)
Rafael Maglia de Souza, Fábio Cavalcante Romeu, Mauro Carlos Costa Ribeiro, Jonathan F Lovell, Luis Gustavo Dias
Osmotic Method for Calculating Surface Pressure of Monolayers in Molecular Dynamics Simulations. Journal of chemical theory and computation 18 (4) (2022)
Sepideh Soltani, Shahin Sowlati-Hashjin, Conrard Giresse Tetsassi Feugmo, Jonathan F Lovell
Structural Investigation of DHICA Eumelanin Using Density Functional Theory and Classical Molecular Dynamics Simulations. Molecules (Basel, Switzerland) 27 (23) (2022)
Cecilia Chávez-García, Jérôme Hénin, Jonathan F Lovell
Multiscale Computational Study of the Conformation of the Full-Length Intrinsically Disordered Protein MeCP2. Journal of chemical information and modeling 62 (4) (2022)
Carter J Wilson, Wing-Yiu Choy, Jonathan F Lovell
AlphaFold2: A Role for Disordered Protein/Region Prediction? International journal of molecular sciences 23 (9) (2022)
Nililla Nisoh, Viwan Jarerattanachat, Jonathan F Lovell, Jirasak Wong-Ekkabut
Fullerenes' Interactions with Plasma Membranes: Insight from the MD Simulations. Biomolecules 12 (5) (2022)
Shahin Sowlati-Hashjin, Vojtěch Šadek, SeyedAbdolreza Sadjadi, Jonathan F Lovell, Angel Martin Pendás, Cina Foroutan-Nejad
Collective interactions among organometallics are exotic bonds hidden on lab shelves. Nature communications 13 (1) (2022)
Cecilia Chávez-García, Jonathan F Lovell
Highly Similar Sequence and Structure Yet Different Biophysical Behavior: A Computational Study of Two Triosephosphate Isomerases. Journal of chemical information and modeling 62 (3) (2022)
Natalia Lukasheva, Dmitry A Tolmachev, Hector Martinez-Seara, Jonathan F Lovell
Changes in the Local Conformational States Caused by Simple Na + and K + Ions in Polyelectrolyte Simulations: Comparison of Seven Force Fields with and without NBFIX and ECC Corrections. Polymers 14 (2) (2022)
Elizaveta V Batishcheva, Darya N Sokolova, Veronika S Fedotova, Maria P Sokolova, Alexandra L Nikolaeva, Alexey Y Vakulyuk, Christina Y Shakhbazova, Mauro Carlos Costa Ribeiro, Jonathan F Lovell, Michael A Smirnov
Strengthening Cellulose Nanopaper via Deep Eutectic Solvent and Ultrasound-Induced Surface Disordering of Nanofibers. Polymers 14 (1) (2021)
Rafael Maglia de Souza, Jonathan F Lovell, Mauro Carlos Costa Ribeiro
Fine-Tuning the Polarizable CL&Pol Force Field for the Deep Eutectic Solvent Ethaline. Journal of chemical information and modeling (2021)
Jiramate Kitjanon, Wasinee Khuntawee, Saree Phongphanphanee, Thana Sutthibutpong, Nattaporn Chattham, Jonathan F Lovell, Jirasak Wong-Ekkabut
Nanocomposite of Fullerenes and Natural Rubbers: MARTINI Force Field Molecular Dynamics Simulations. Polymers 13 (22) (2021)
Wasinee Khuntawee, Rawiporn Amornloetwattana, Wanwipa Vongsangnak, Katawut Namdee, Teerapong Yata, Jonathan F Lovell, Jirasak Wong-Ekkabut
In silico and in vitro design of cordycepin encapsulation in liposomes for colon cancer treatment. RSC advances 11 (15) (2021)
Carter J Wilson, Megan Chang, Jonathan F Lovell, Wing-Yiu Choy
KEAP1 Cancer Mutants: A Large-Scale Molecular Dynamics Study of Protein Stability. International journal of molecular sciences 22 (10) (2021)
Andrey A Gurtovenko, Jonathan F Lovell
How to control interactions of cellulose-based biomaterials with skin: the role of acidity in the contact area. Soft matter 17 (27) (2021)
Afshan Ardalan, Shahin Sowlati-Hashjin, Habib Oduwoye, Stephanie O Uwumarenogie, Jonathan F Lovell, Matthew D Smith, Masoud Jelokhani-Niaraki
Biphasic Proton Transport Mechanism for Uncoupling Proteins. The journal of physical chemistry. B 125 (32) (2021)
Michael A Smirnov, Veronika S Fedotova, Maria P Sokolova, Alexandra L Nikolaeva, Vladimir Yu Elokhovsky, Jonathan F Lovell
Polymerizable Choline- and Imidazolium-Based Ionic Liquids Reinforced with Bacterial Cellulose for 3D-Printing. Polymers 13 (18) (2021)
Dmitry Tolmachev, George Mamistvalov, Natalia Lukasheva, Sergey V Larin, Jonathan F Lovell
Effects of Amino Acid Side-Chain Length and Chemical Structure on Anionic Polyglutamic and Polyaspartic Acid Cellulose-Based Polyelectrolyte Brushes. Polymers 13 (11) (2021)
Megan Chang, Carter J Wilson, Nadun Chanaka Karunatilleke, Mohamed Hesham Moselhy, Jonathan F Lovell, Wing-Yiu Choy
Exploring the Conformational Landscape of the Neh4 and Neh5 Domains of Nrf2 Using Two Different Force Fields and Circular Dichroism. Journal of chemical theory and computation 17 (5) (2021)
Jasmin Federizon, Conrard Giresse Tetsassi Feugmo, Wei-Chiao Huang, Xuedan He, Kazutoyo Miura, Aida Razi, Joaquin Ortega, Jonathan F Lovell, Jonathan F Lovell
Experimental and Computational Observations of Immunogenic Cobalt Porphyrin Lipid Bilayers: Nanodomain-Enhanced Antigen Association. Pharmaceutics 13 (1) (2021)
Shahin Sowlati-Hashjin, Jonathan F Lovell, Chérif F Matta
Manipulation of Diatomic Molecules with Oriented External Electric Fields: Linear Correlations in Atomic Properties Lead to Nonlinear Molecular Responses. The journal of physical chemistry. A 124 (23) (2020)
Afshan Ardalan, Shahin Sowlati-Hashjin, Stephanie O Uwumarenogie, Michael Fish, Joel Mitchell, Jonathan F Lovell, Matthew D Smith, Masoud Jelokhani-Niaraki
Functional Oligomeric Forms of Uncoupling Protein 2: Strong Evidence for Asymmetry in Protein and Lipid Bilayer Systems. The journal of physical chemistry. B 125 (1) (2020)
Shahin Sowlati-Hashjin, Paola Carbone, Jonathan F Lovell
Insights into the Polyhexamethylene Biguanide (PHMB) Mechanism of Action on Bacterial Membrane and DNA: A Molecular Dynamics Study. The journal of physical chemistry. B 124 (22) (2020)
Dmitry A Tolmachev, Natalia Lukasheva, George Mamistvalov, Jonathan F Lovell
Influence of Calcium Binding on Conformations and Motions of Anionic Polyamino Acids. Effect of Side Chain Length. Polymers 12 (6) (2020)
Rafael Maglia de Souza, Leonardo José Amaral Siqueira, Jonathan F Lovell, Luis Gustavo Dias
Molecular Dynamics Simulations of Polymer-Ionic Liquid (1-Ethyl-3-methylimidazolium Tetracyanoborate) Ternary Electrolyte for Sodium and Potassium Ion Batteries. Journal of chemical information and modeling 60 (2) (2019)
Wasinee Khuntawee, Thana Sutthibutpong, Saree Phongphanphanee, Jonathan F Lovell, Jirasak Wong-Ekkabut
Molecular dynamics study of natural rubber-fullerene composites: connecting microscopic properties to macroscopic behavior. Physical chemistry chemical physics : PCCP 21 (35) (2019)
Laura R Parisi, Shahin Sowlati-Hashjin, Ilyas A Berhane, Samuel L Galster, Kevin A Carter, Jonathan F Lovell, Sherry R Chemler, Jonathan F Lovell, Gunes Ekin Atilla-Gokcumen
Membrane Disruption by Very Long Chain Fatty Acids during Necroptosis. ACS chemical biology 14 (10) (2019)
Mariia Stepanova, Ilia Averianov, Mikhail Serdobintsev, Iosif Gofman, Natalya Blum, Natalya Semenova, Yuliya Nashchekina, Tatiana Vinogradova, Viktor A Korzhikov-Vlakh, Jonathan F Lovell, Evgenia G Korzhikova-Vlakh
PGlu-Modified Nanocrystalline Cellulose Improves Mechanical Properties, Biocompatibility, and Mineralization of Polyester-Based Composites. Materials (Basel, Switzerland) 12 (20) (2019)
Cedric A J Hutter, M Hadi Timachi, Lea M Hürlimann, Iwan Zimmermann, Pascal Egloff, Hendrik Göddeke, Svetlana Kucher, Saša Štefanić, Jonathan F Lovell, Lars V Schäfer, Enrica Bordignon, Markus A Seeger
The extracellular gate shapes the energy profile of an ABC exporter. Nature communications 10 (1) (2019)
Rafael Maglia de Souza, R H Ratochinski, Jonathan F Lovell, Luis Gustavo Dias
Self-Assembly of Phosphocholine Derivatives Using the ELBA Coarse-Grained Model: Micelles, Bicelles, and Reverse Micelles. Journal of chemical information and modeling 60 (2) (2019)
Dmitry A Tolmachev, O S Boyko, N V Lukasheva, Hector Martinez-Seara, Jonathan F Lovell
Overbinding and Qualitative and Quantitative Changes Caused by Simple Na+ and K+ Ions in Polyelectrolyte Simulations: Comparison of Force Fields with and without NBFIX and ECC Corrections. Journal of chemical theory and computation 16 (1) (2019)
Andrey A Gurtovenko, Jonathan F Lovell
Controlled On-Off Switching of Tight-Binding Hydrogen Bonds between Model Cell Membranes and Acetylated Cellulose Surfaces. Langmuir : the ACS journal of surfaces and colloids 35 (42) (2019)
Pornkamon Nalakarn, Phansiri Boonnoy, Nililla Nisoh, Jonathan F Lovell, Jirasak Wong-Ekkabut
Dependence of fullerene aggregation on lipid saturation due to a balance between entropy and enthalpy. Scientific reports 9 (1) (2019)
Yuriy Khalak, Björn Baumeier, Jonathan F Lovell
Improved general-purpose five-point model for water: TIP5P/2018. The Journal of chemical physics 149 (22) (2018)
Phansiri Boonnoy, Jonathan F Lovell, Jirasak Wong-Ekkabut
Does α-Tocopherol Flip-Flop Help to Protect Membranes Against Oxidation? The journal of physical chemistry. B 122 (45) (2018)
Andrey A Gurtovenko, Evgenii I Mukhamadiarov, Andrei Yu Kostritskii, Jonathan F Lovell
Phospholipid-Cellulose Interactions: Insight from Atomistic Computer Simulations for Understanding the Impact of Cellulose-Based Materials on Plasma Membranes. The journal of physical chemistry. B 122 (43) (2018)
Tonalli Rodríguez-López, Yuriy Khalak, Jonathan F Lovell
Non-conformal coarse-grained potentials for water. The Journal of chemical physics 147 (13) (2018)
Jonathan F Lovell, Wing-Yiu Choy, Elio A Cino
Prediction of Binding Energy of Keap1 Interaction Motifs in the Nrf2 Antioxidant Pathway and Design of Potential High-Affinity Peptides. The journal of physical chemistry. B 122 (22) (2018)

Jonathan F Lovell.css-eqlu8i{font-size:small;padding-left:4px;} (Mikko Karttunen)

Publication Activity (10 Years)

Top Topics

Top Venues

Jonathan F Lovell (Mikko Karttunen)