• Issue

    Proteins: Structure, Function, and Bioinformatics: Volume 91, Issue 2

    135-290
    February 2023
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TABLE OF CONTENT

Free Access

Issue Information - Table of Content

  • Pages: 135-136
  • First Published: 05 January 2023

RESEARCH ARTICLES

Structural insights into thermostable direct hemolysin of Vibrio parahaemolyticus using single-particle cryo-EM

Suman Mishra,  Nidhi Kundu,  Ishika Pramanick,  Anil Kumar,  Kausik Chattopadhyay,  Somnath Dutta, 
  • Pages: 137-146
  • First Published: 24 August 2022

N-glycosylation induced changes in tau protein dynamics reveal its role in tau misfolding and aggregation: A microsecond long molecular dynamics study

Alen T. Mathew,  Anurag T. K. Baidya,  Bhanuranjan Das,  Bharti Devi,  Rajnish Kumar, 
  • Pages: 147-160
  • First Published: 27 August 2022

Vaccine target and carrier molecule nontypeable Haemophilus influenzae protein D dimerizes like the close Escherichia coli GlpQ homolog but unlike other known homolog dimers

Seth P. Jones,  Kali H. Cook,  Melody L. Holmquist,  Liam J. Almekinder,  Annie M. Delaney,  Ryhl Charles,  Natalie Labbe,  Janai Perdue,  Niaya Jackson,  Michael E. Pichichero,  Ravinder Kaur,  Lea V. Michel,  Michael L. Gleghorn, 
  • Pages: 161-170
  • First Published: 06 September 2022

Mapping of antibody epitopes based on docking and homology modeling

Israel T. Desta,  Sergei Kotelnikov,  George Jones,  Usman Ghani,  Mikhail Abyzov,  Yaroslav Kholodov,  Daron M. Standley,  Maria Sabitova,  Dmitri Beglov,  Sandor Vajda,  Dima Kozakov, 
  • Pages: 171-182
  • First Published: 11 September 2022
Open Access

A new approach for extracting information from protein dynamics

Jenny Liu,  Luís A. N. Amaral,  Sinan Keten, 
  • Pages: 183-195
  • First Published: 12 September 2022

De novo design and Rosetta-based assessment of high-affinity antibody variable regions (Fv) against the SARS-CoV-2 spike receptor binding domain (RBD)

Veda Sheersh Boorla,  Ratul Chowdhury,  Ranjani Ramasubramanian,  Brandon Ameglio,  Rahel Frick,  Jeffrey J. Gray,  Costas D. Maranas, 
  • Pages: 196-208
  • First Published: 16 September 2022

Milestoning simulation of ligand dissociation from the glycogen synthase kinase 3β

Samith Rathnayake,  Brajesh Narayan,  Ron Elber,  Chung F. Wong, 
  • Pages: 209-217
  • First Published: 14 September 2022

Thermostabilizing mechanisms of canonical single amino acid substitutions at a GH1 β-glucosidase probed by multiple MD and computational approaches

Rafael Eduardo Oliveira Rocha,  Diego César Batista Mariano,  Tiago Silva Almeida,  Leon Sulfierry CorrêaCosta,  Pedro Henrique Camargo Fischer,  Lucianna Helene Santos,  Ernesto Raul Caffarena,  Carlos Henrique da Silveira,  Leonida M. Lamp,  Monica Lisa Fernandez-Quintero,  Klaus Roman Liedl,  Raquel Cardoso de Melo-Minardi,  Leonardo Henrique França de Lima, 
  • Pages: 218-236
  • First Published: 17 September 2022
Open Access

Comparison of allosteric signaling in DnaK and BiP using mutual information between simulated residue conformations

Markus Schneider,  Iris Antes, 
  • Pages: 237-255
  • First Published: 16 September 2022

Cyclic cystine knot and its strong implication on the structure and dynamics of cyclotides

Jayapriya Venkatesan,  Durba Roy, 
  • Pages: 256-267
  • First Published: 15 September 2022

Understanding the helical stability of charged peptides

Nitin Kumar Singh,  Manish Agarwal,  Mithun Radhakrishna, 
  • Pages: 268-276
  • First Published: 19 September 2022

MHC2AffyPred: A machine-learning approach to estimate affinity of MHC class II peptides based on structural interaction fingerprints

Siddhi P. Jani,  Sivakumar Prasanth Kumar,  Naman Mangukia,  Saumya K. Patel,  Himanshu A. Pandya,  Rakesh M. Rawal, 
  • Pages: 277-289
  • First Published: 18 September 2022

ISSUE INFORMATION - FORTHCOMING

Free Access

Issue Information - Forthcoming

  • Page: 290
  • First Published: 05 January 2023