Pawel Krupa (Paweł Krupa)

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 29

Top Topics

Molecular Dynamics Simulations

Top Venues

The journal of physical chemistry. B

International journal of molecular sciences

Molecules (Basel, Switzerland)

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

Publications

Pamela Smardz, Midhun Mohan Anila, Paweł Rogowski, Mai Suan Li, Bartosz Różycki, Pawel Krupa
A Practical Guide to All-Atom and Coarse-Grained Molecular Dynamics Simulations Using Amber and Gromacs: A Case Study of Disulfide-Bond Impact on the Intrinsically Disordered Amyloid Beta. International journal of molecular sciences 25 (12) (2024)
Natalia H Rogoża, Magdalena A Mozolewska, Pawel Krupa, Adam K Sieradzan
Integrating Explicit and Implicit Fullerene Models into UNRES Force Field for Protein Interaction Studies. Molecules (Basel, Switzerland) 29 (9) (2024)
Yuliia Varenyk, Panagiotis E Theodorakis, Dinh Q H Pham, Mai Suan Li, Pawel Krupa
Exploring Structural Insights of Aβ42 and α-Synuclein Monomers and Heterodimer: A Comparative Study Using Implicit and Explicit Solvent Simulations. The journal of physical chemistry. B 128 (19) (2024)
Piotr Ciura, Pamela Smardz, Marta Spodzieja, Adam K Sieradzan, Pawel Krupa
Multilayered Computational Framework for Designing Peptide Inhibitors of HVEM-LIGHT Interaction. The journal of physical chemistry. B 128 (28) (2024)
Pamela Smardz, Midhun Mohan Anila, Paweł Rogowski, Mai Suan Li, Bartosz Różycki, Pawel Krupa
A Practical Guide to All-Atom and Coarse-Grained Molecular Dynamics Simulations Using Amber and Gromacs: A Case Study of Disulfide-Bond Impact on the Intrinsically Disordered Amyloid Beta. International journal of molecular sciences 25 (12) (2024)
Piotr Ciura, Pamela Smardz, Marta Spodzieja, Adam K Sieradzan, Pawel Krupa
Multilayered Computational Framework for Designing Peptide Inhibitors of HVEM-LIGHT Interaction. The journal of physical chemistry. B 128 (28) (2024)
Natalia H Rogoża, Magdalena A Mozolewska, Pawel Krupa, Adam K Sieradzan
Integrating Explicit and Implicit Fullerene Models into UNRES Force Field for Protein Interaction Studies. Molecules (Basel, Switzerland) 29 (9) (2024)
Piotr Ciura, Pamela Smardz, Marta Spodzieja, Adam K Sieradzan, Pawel Krupa
Multilayered Computational Framework for Designing Peptide Inhibitors of HVEM-LIGHT Interaction. The journal of physical chemistry. B 128 (28) (2024)
Piotr Ciura, Pamela Smardz, Marta Spodzieja, Adam K Sieradzan, Pawel Krupa
Multilayered Computational Framework for Designing Peptide Inhibitors of HVEM-LIGHT Interaction. The journal of physical chemistry. B (2024)
Yuliia Varenyk, Panagiotis E Theodorakis, Dinh Q H Pham, Mai Suan Li, Pawel Krupa
Exploring Structural Insights of Aβ42 and α-Synuclein Monomers and Heterodimer: A Comparative Study Using Implicit and Explicit Solvent Simulations. The journal of physical chemistry. B 128 (19) (2024)
Piotr Ciura, Pamela Smardz, Marta Spodzieja, Adam K Sieradzan, Pawel Krupa
Multilayered Computational Framework for Designing Peptide Inhibitors of HVEM-LIGHT Interaction. The journal of physical chemistry. B 128 (28) (2024)
Yuliia Varenyk, Panagiotis E Theodorakis, Dinh Q H Pham, Mai Suan Li, Pawel Krupa
Exploring Structural Insights of Aβ42 and α-Synuclein Monomers and Heterodimer: A Comparative Study Using Implicit and Explicit Solvent Simulations. The journal of physical chemistry. B (2024)
Pamela Smardz, Midhun Mohan Anila, Paweł Rogowski, Mai Suan Li, Bartosz Różycki, Pawel Krupa
A Practical Guide to All-Atom and Coarse-Grained Molecular Dynamics Simulations Using Amber and Gromacs: A Case Study of Disulfide-Bond Impact on the Intrinsically Disordered Amyloid Beta. International journal of molecular sciences 25 (12) (2024)
Yuliia Varenyk, Panagiotis E Theodorakis, Dinh Q H Pham, Mai Suan Li, Pawel Krupa
Exploring Structural Insights of Aβ42 and α-Synuclein Monomers and Heterodimer: A Comparative Study Using Implicit and Explicit Solvent Simulations. The journal of physical chemistry. B 128 (19) (2024)
Debsankar Saha Roy, Ankur Gupta, Vicky Vishvakarma, Pawel Krupa, Mai Suan Li, Sudipta Maiti
Serotonin Promotes Vesicular Association and Fusion by Modifying Lipid Bilayers. The journal of physical chemistry. B (2024)
Yuliia Varenyk, Panagiotis E Theodorakis, Dinh Q H Pham, Mai Suan Li, Pawel Krupa
Exploring Structural Insights of Aβ42 and α-Synuclein Monomers and Heterodimer: A Comparative Study Using Implicit and Explicit Solvent Simulations. The journal of physical chemistry. B 128 (19) (2024)
Debsankar Saha Roy, Ankur Gupta, Vicky Vishvakarma, Pawel Krupa, Mai Suan Li, Sudipta Maiti
Serotonin Promotes Vesicular Association and Fusion by Modifying Lipid Bilayers. The journal of physical chemistry. B 128 (20) (2024)
Pawel Krupa, Giovanni La Penna, Mai Suan Li
Amyloid- β Tetramers and Divalent Cations at the Membrane/Water Interface: Simple Models Support a Functional Role. International journal of molecular sciences 24 (16) (2023)
Ankur Gupta, Pawel Krupa, Oskar Engberg, Magdalena A Mozolewska, Ankur Chaudhary, Mai Suan Li, Daniel Huster, Sudipta Maiti
Unusual Robustness of Neurotransmitter Vesicle Membranes against Serotonin-Induced Perturbations. The journal of physical chemistry. B 127 (9) (2023)
Ankur Gupta, Pawel Krupa, Oskar Engberg, Magdalena A Mozolewska, Ankur Chaudhary, Mai Suan Li, Daniel Huster, Sudipta Maiti
Unusual Robustness of Neurotransmitter Vesicle Membranes against Serotonin-Induced Perturbations. The journal of physical chemistry. B 127 (9) (2023)
Ankur Gupta, Pawel Krupa, Oskar Engberg, Magdalena A Mozolewska, Ankur Chaudhary, Mai Suan Li, Daniel Huster, Sudipta Maiti
Unusual Robustness of Neurotransmitter Vesicle Membranes against Serotonin-Induced Perturbations. The journal of physical chemistry. B (2023)
Ankur Gupta, Pawel Krupa, Oskar Engberg, Magdalena A Mozolewska, Ankur Chaudhary, Mai Suan Li, Daniel Huster, Sudipta Maiti
Unusual Robustness of Neurotransmitter Vesicle Membranes against Serotonin-Induced Perturbations. The journal of physical chemistry. B 127 (9) (2023)
Pamela Smardz, Adam K Sieradzan, Pawel Krupa
Mechanical Stability of Ribonuclease A Heavily Depends on the Redox Environment. The journal of physical chemistry. B 126 (33) (2022)
Nguyen Hoang Linh, Huynh Quang Linh, Pawel Krupa, Giovanni La Penna, Mai Suan Li
Amyloid β Dodecamer Disrupts the Neuronal Membrane More Strongly than the Mature Fibril: Understanding the Role of Oligomers in Neurotoxicity. The journal of physical chemistry. B 126 (20) (2022)
Pawel Krupa, Agnieszka S Karczyńska, Magdalena A Mozolewska, Adam Liwo, Cezary Czaplewski
UNRES-Dock-protein-protein and peptide-protein docking by coarse-grained replica-exchange MD simulations. Bioinformatics (Oxford, England) 37 (11) (2021)
Dinh Quoc Huy Pham, Pawel Krupa, Nguyen Hoang Linh, Giovanni La Penna, Mai Suan Li
Computational Model to Unravel the Function of Amyloid-β Peptides in Contact with a Phospholipid Membrane. The journal of physical chemistry. B 124 (16) (2020)
Agnieszka S Karczyńska, Karolina Ziȩba, Urszula Uciechowska, Magdalena A Mozolewska, Pawel Krupa, Emilia A Lubecka, Agnieszka G Lipska, Celina Sikorska, Sergey A Samsonov, Adam K Sieradzan, Artur Giełdoń, Jozef Adam Liwo, Rafał Ślusarz, Magdalena Ślusarz, Jooyoung Lee, Keehyoung Joo, Cezary Czaplewski
Improved Consensus-Fragment Selection in Template-Assisted Prediction of Protein Structures with the UNRES Force Field in CASP13. Journal of chemical information and modeling 60 (3) (2020)
Pawel Krupa, David J Wales, Adam K Sieradzan
Computational Studies of the Mechanical Stability for Single-Strand Break DNA. The journal of physical chemistry. B 122 (34) (2018)
Eshel Faraggi, Pawel Krupa, Magdalena A Mozolewska, Adam Liwo, Andrzej Kloczkowski
Reoptimized UNRES Potential for Protein Model Quality Assessment. Genes 9 (12) (2018)