John E Straub

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 25

Top Topics

Molecular Dynamics Simulations

Structural Basis

High Resolution

Top Venues

Proceedings of the National Academy of Sciences of the United States of America

The Journal of chemical physics

Journal of chemical theory and computation

Science advances

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

Publications

Ayan Majumder, John E Straub
Machine Learning Derived Collective Variables for the Study of Protein Homodimerization in Membrane. Journal of chemical theory and computation 20 (13) (2024)
Ayan Majumder, John E Straub
Machine Learning Derived Collective Variables for the Study of Protein Homodimerization in Membrane. Journal of chemical theory and computation (2024)
Ayan Majumder, John E Straub
The role of structural heterogeneity in the homodimerization of transmembrane proteins. The Journal of chemical physics 159 (13) (2023)
Debayan Chakraborty, John E Straub, D Thirumalai
Energy landscapes of Aβ monomers are sculpted in accordance with Ostwald's rule of stages. Science advances 9 (12) (2023)
D Thirumalai, Abhinaw Kumar, Debayan Chakraborty, John E Straub, Mauro Lorenzo Mugnai
Conformational fluctuations and phases in fused in sarcoma (FUS) low-complexity domain. Biopolymers (2023)
Debayan Chakraborty, John E Straub, D Thirumalai
Energy landscapes of Aβ monomers are sculpted in accordance with Ostwald's rule of stages. Science advances 9 (12) (2023)
Debayan Chakraborty, John E Straub, D Thirumalai
Energy landscapes of Aβ monomers are sculpted in accordance with Ostwald's rule of stages. Science advances 9 (12) (2023)
George A Pantelopulos, Daisuke Matsuoka, James M Hutchison, Charles R Sanders, Yuji Sugita, John E Straub, D Thirumalai
Formation of extramembrane β -strands controls dimerization of transmembrane helices in amyloid precursor protein C99. Proceedings of the National Academy of Sciences of the United States of America 119 (52) (2022)
George A Pantelopulos, Daisuke Matsuoka, James M Hutchison, Charles R Sanders, Yuji Sugita, John E Straub, D Thirumalai
Formation of extramembrane β -strands controls dimerization of transmembrane helices in amyloid precursor protein C99. Proceedings of the National Academy of Sciences of the United States of America 119 (52) (2022)
George A Pantelopulos, Daisuke Matsuoka, James M Hutchison, Charles R Sanders, Yuji Sugita, John E Straub, D Thirumalai
Formation of extramembrane β -strands controls dimerization of transmembrane helices in amyloid precursor protein C99. Proceedings of the National Academy of Sciences of the United States of America 119 (52) (2022)
Michele Ceriotti, Lasse Jensen, David E Manolopoulos, Todd J Martinez, Angelos Michaelides, Jennifer P Ogilvie, David R Reichman, Qiang Shi, John E Straub, Carlos Vega, Lai-Sheng Wang, Emily Allyn Weiss, Xiaoyang Zhu, Jennifer L Stein, Tianquan Lian
2020 JCP Emerging Investigator Special Collection. The Journal of chemical physics 155 (23) (2022)
George A Pantelopulos, Daisuke Matsuoka, James M Hutchison, Charles R Sanders, Yuji Sugita, John E Straub, D Thirumalai
Formation of extramembrane β -strands controls dimerization of transmembrane helices in amyloid precursor protein C99. Proceedings of the National Academy of Sciences of the United States of America 119 (52) (2022)
George A Pantelopulos, Daisuke Matsuoka, James M Hutchison, Charles R Sanders, Yuji Sugita, John E Straub, D Thirumalai
Formation of extramembrane β -strands controls dimerization of transmembrane helices in amyloid precursor protein C99. Proceedings of the National Academy of Sciences of the United States of America 119 (52) (2022)
Ayan Majumder, Seulki Kwon, John E Straub
On Computing Equilibrium Binding Constants for Protein-Protein Association in Membranes. Journal of chemical theory and computation 18 (6) (2022)
Ayan Majumder, John E Straub
Addressing the Excessive Aggregation of Membrane Proteins in the MARTINI Model. Journal of chemical theory and computation 17 (4) (2021)
Abhinaw Kumar, Debayan Chakraborty, Mauro Lorenzo Mugnai, John E Straub, D Thirumalai
Sequence Determines the Switch in the Fibril Forming Regions in the Low-Complexity FUS Protein and Its Variants. The journal of physical chemistry letters 12 (37) (2021)
Jonathan J Harris, George A Pantelopulos, John E Straub
Finite-Size Effects and Optimal System Sizes in Simulations of Surfactant Micelle Self-Assembly. The journal of physical chemistry. B 125 (19) (2021)
Phuong Hoang Nguyen, Ayyalusamy Ramamoorthy, Bikash R Sahoo, Jie Zheng, Peter Faller, John E Straub, Laura Domínguez, Joan-Emma Shea, Nikolay V Dokholyan, Alfonso De Simone, Buyong Ma, Ruth Nussinov, Saeed Najafi, Son Tung Ngo, Antoine Loquet, Mara Chiricotto, Pritam Ganguly, James J McCarty, Mai Suan Li, Carol K Hall, Yiming Wang, Yifat Miller, Simone Melchionna, Birgit Habenstein, Stepan Timr, Jiaxing Chen, Brianna Hnath, Birgit Strodel, Rakez Kayed, Sylvain Lesné, Guanghong Wei, Fabio Sterpone, Andrew J Doig, Philippe Derreumaux
Amyloid Oligomers: A Joint Experimental/Computational Perspective on Alzheimer's Disease, Parkinson's Disease, Type II Diabetes, and Amyotrophic Lateral Sclerosis. Chemical reviews 121 (4) (2021)
Mark D Ediger, Lasse Jensen, David E Manolopoulos, Todd J Martinez, Angelos Michaelides, David R Reichman, C David Sherrill, Qiang Shi, John E Straub, Carlos Vega, Lai-Sheng Wang, Erinn C Brigham, Tianquan Lian
JCP Emerging Investigator Special Collection 2019. The Journal of chemical physics 153 (11) (2021)
Carlos R Baiz, Bartosz Błasiak, Jens Bredenbeck, Minhaeng Cho, Jun-Ho Choi, Steven A Corcelli, Arend G Dijkstra, Chi-Jui Feng, Sean Garrett-Roe, Nien-Hui Ge, Magnus W D Hanson-Heine, Jonathan D Hirst, Thomas la Cour Jansen, Kijeong Kwac, Kevin J Kubarych, Casey H Londergan, Hiroaki Maekawa, Mike Reppert, Shinji Saito, Santanu Roy, James L Skinner, Gerhard Stock, John E Straub, Megan C Thielges, Keisuke Tominaga, Andrei Tokmakoff, Hajime Torii, Lu Wang, Lauren J Webb, Martin T Zanni
Correction to Vibrational Spectroscopic Map, Vibrational Spectroscopy, and Intermolecular Interaction. Chemical reviews 121 (21) (2021)
Matthew R Elkins, Asanga Bandara, George A Pantelopulos, John E Straub, Mei Hong
Direct Observation of Cholesterol Dimers and Tetramers in Lipid Bilayers. The journal of physical chemistry. B 125 (7) (2021)
George A Pantelopulos, Afra Panahi, John E Straub
Impact of Cholesterol Concentration and Lipid Phase on Structure and Fluctuation of Amyloid Precursor Protein. The journal of physical chemistry. B 124 (45) (2020)
Debayan Chakraborty, John E Straub, D Thirumalai
Differences in the free energies between the excited states of Aβ40 and Aβ42 monomers encode their aggregation propensities. Proceedings of the National Academy of Sciences of the United States of America 117 (33) (2020)
Ryo Urano, George A Pantelopulos, Shanshan Song, John E Straub
Characterization of dynamics and mechanism in the self-assembly of AOT reverse micelles. The Journal of chemical physics 149 (14) (2018)
George A Pantelopulos, Tetsuro Nagai, Asanga Bandara, Afra Panahi, John E Straub
Critical size dependence of domain formation observed in coarse-grained simulations of bilayers composed of ternary lipid mixtures. The Journal of chemical physics 147 (9) (2018)