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Chemistry

D-Index
70
Citations
30646
World Ranking
5731
National Ranking
1763

Research.com Recognitions

  • 1995 - Fellow of Alfred P. Sloan Foundation

Overview

John E. Straub is affiliated with Boston University in the United States. Their research lies primarily within the field of Biochemistry, Genetics and Molecular Biology, with a focused expertise across several subfields including Molecular Biology, Physiology, Atomic and Molecular Physics and Optics, Materials Chemistry, and Organic Chemistry.

The scientist's work addresses a range of topics, centering on Protein Structure and Dynamics, Lipid Membrane Structure and Behavior, and Alzheimer's disease research and treatments. Additional areas of study include Spectroscopy and Quantum Chemical Studies, RNA Research and Splicing, Photoreceptor and optogenetics research, and Supramolecular Self-Assembly in Materials.

Among the recent publications by John E. Straub are:

  • "Amyloid Oligomers: A Joint Experimental/Computational Perspective on Alzheimer's Disease, Parkinson's Disease, Type II Diabetes, and Amyotrophic Lateral Sclerosis," 2021, Chemical Reviews
  • "Vibrational Spectroscopic Map, Vibrational Spectroscopy, and Intermolecular Interaction," 2020, Chemical Reviews
  • "Differences in the free energies between the excited states of A β 40 and A β 42 monomers encode their aggregation propensities," 2020, Proceedings of the National Academy of Sciences
  • "Addressing the Excessive Aggregation of Membrane Proteins in the MARTINI Model," 2021, Journal of Chemical Theory and Computation
  • "Direct Observation of Cholesterol Dimers and Tetramers in Lipid Bilayers," 2021, The Journal of Physical Chemistry B

John E. Straub frequently collaborates with several co-authors including D. Thirumalai, George A. Pantelopulos, Debayan Chakraborty, Ayan Majumder, and Abhinaw Kumar. These collaborations have contributed to advancing research in the scientist's core areas of focus.

Their work has been published regularly in well-known venues such as bioRxiv (Cold Spring Harbor Laboratory), Journal of Chemical Theory and Computation, Biophysical Journal, The Journal of Physical Chemistry B, and Chemical Reviews.

In recognition of their contributions, John E. Straub was designated a Fellow of the Alfred P. Sloan Foundation in 1995.

Best Publications

  • All-atom empirical potential for molecular modeling and dynamics studies of proteins.

    A. D. MacKerell;D. Bashford;M. Bellott;R. L. Dunbrack

  • Amyloid oligomers: A joint experimental/computational perspective on Alzheimer's disease, Parkinson's disease, type II diabetes, and amyotrophic lateral sclerosis

    Phuong H. Nguyen;Ayyalusamy Ramamoorthy;Bikash R. Sahoo;Jie Zheng

  • Classical and modern methods in reaction rate theory

    Bruce J. Berne;Michal Borkovec;John E. Straub

  • Monomer adds to preformed structured oligomers of Aβ-peptides by a two-stage dock–lock mechanism

    Phuong H. Nguyen;Mai Suan Li;Gerhard Stock;John E. Straub

  • Role of water in protein aggregation and amyloid polymorphism.

    D. Thirumalai;Govardhan Reddy;John E. Straub

  • Vibrational Spectroscopic Map, Vibrational Spectroscopy, and Intermolecular Interaction.

    Carlos R. Baiz;Bartosz Błasiak;Jens Bredenbeck;Minhaeng Cho

  • Toward a Molecular Theory of Early and Late Events in Monomer to Amyloid Fibril Formation

    John E. Straub;D. Thirumalai

  • Novel methods of sampling phase space in the simulation of biological systems

    Bruce J Berne;John E Straub

  • Dynamics of Asp23-Lys28 salt-bridge formation in Aβ10- 35 monomers

    Bogdan Tarus;John E. Straub;D. Thirumalai

  • A Molecular Switch in Amyloid Assembly: Met35 and Amyloid β-Protein Oligomerization

    Gal Bitan;Bogdan Tarus;Sabrina S. Vollers;Hilal A. Lashuel

  • Entropic Stabilization of Proteins by TMAO

    Samuel S. Cho;Govardhan Reddy;John E. Straub;D. Thirumalai

  • Generalized simulated annealing algorithms using Tsallis statistics: Application to conformational optimization of a tetrapeptide

    Ioan Andricioaei;John E. Straub

  • Non‐Markovian activated rate processes: Comparison of current theories with numerical simulation data

    John E. Straub;Michal Borkovec;Bruce J. Berne

  • Molecular dynamics study of the photodissociation of carbon monoxide from myoglobin : ligand dynamics in the first 10 ps

    John E. Straub;Martin Karplus

  • Molecular dynamics study of an isomerizing diatomic in a Lennard‐Jones fluid

    John E. Straub;Michal Borkovec;Bruce J. Berne

  • Aqueous urea solution destabilizes Aβ16–22 oligomers

    D. K. Klimov;John E. Straub;D. Thirumalai

  • Calculation of dynamic friction on intramolecular degrees of freedom

    John E. Straub;Michal. Borkovec;Bruce J. Berne

  • Influence of Preformed Asp23−Lys28 Salt Bridge on the Conformational Fluctuations of Monomers and Dimers of Aβ Peptides with Implications for Rates of Fibril Formation

    Govardhan Reddy;John E. Straub;Devarajan Thirumalai

  • Dynamic friction on rigid and flexible bonds

    B. J. Berne;M. E. Tuckerman;John E. Straub;John E. Straub;A. L. R. Bug;A. L. R. Bug

  • Simulation Study of the Structure and Dynamics of the Alzheimer’s Amyloid Peptide Congener in Solution

    Francesca Massi;Jeff W. Peng;Jonathan P. Lee;John E. Straub

Frequent Co-Authors

D. Thirumalai
D. Thirumalai The University of Texas at Austin
Bruce J. Berne
Bruce J. Berne Columbia University
David M. Leitner
David M. Leitner University of Nevada Reno
Michal Borkovec
Michal Borkovec University of Geneva
Martin Karplus
Martin Karplus Harvard University
Jianpeng Ma
Jianpeng Ma Baylor College of Medicine
Yuji Sugita
Yuji Sugita RIKEN Center for Biosystems Dynamics Research
Gerhard Stock
Gerhard Stock University of Freiburg
Ruth Nussinov
Ruth Nussinov National Institutes of Health
Mark W. Grinstaff
Mark W. Grinstaff Boston University

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