Search

Biological and Medicinal Chemistry

Working Paper

Protein Footprinting, Conformational Dynamics and Interface-Adjacent Neutralization ‘Hotspots’ in the SARS-CoV-2 Spike Protein Receptor Binding Domain / Human ACE2 Interaction

Dominic Narang, Matthew Balmer, D. Andrew James, Derek Wilson

Version 1 posted 18 December 2020

447

Downloads

Theoretical and Computational Chemistry

Working Paper

Generate, Repurpose, Validate: A Receptor-Mediated Atom-by-Atom Drug Generation for SARS-Cov-2 Spike Protein and Similarity-Mapped Drug Repurposing for COVID-19 with Rigorous Free Energy Validation Using Well-Tempered Metadynamics

Rituparno Chowdhury, Venkata Sai Sreyas Adury, Amal Vijay, Reman K. Singh, Arnab Mukherjee

Version 1 posted 18 May 2020

1,029

Downloads

2

Citations

Biological and Medicinal Chemistry

Working Paper

Identification of a Potent Inhibitor Targeting the Spike Protein of Pandemic Human Coronavirus, SARS-CoV-2 by Computational Methods

SRUTHI UNNI, Snehal Aouti, Padmanabhan Balasundaram

Version 1 posted 27 April 2020

1,433

Downloads

5

Citations

Biological and Medicinal Chemistry

Working Paper

Molecular Recognition of SARS-CoV-2 Spike Glycoprotein: Quantum Chemical Hot Spot and Epitope Analyses

Chiduru Watanabe, Yoshio Okiyama, Shigenori Tanaka, Kaori Fukuzawa, Teruki Honma

Version 3 posted 27 November 2020

926

Downloads

2

Citations

Theoretical and Computational Chemistry

Working Paper

Using wide biological pores to cap and contain the COVID-19 spike protein

G Sampath

Version 3 posted 27 September 2021

401

Downloads

Nanoscience

Working Paper

A Polyvalent Nano-Lectin Potently Neutralizes SARS-CoV-2 by Targeting Glycans on the Viral Spike Protein

Darshita Budhadev, James Hooper, Cheila Rocha, Inga Nehlmeier, Amy Madeleine Kempf, Markus Hoffmann, Nadine Krüger, Dejian Zhou, Stefan Pöhlmann, Yuan Guo

Version 1 posted 01 November 2022

187

Downloads

Biological and Medicinal Chemistry

Working Paper

Structure Based Drug Repurposing Through Targeting Nsp9 Replicase and Spike Proteins of SARS-CoV-2

Vaishali Chandel, Prem Prakash Sharma, Sibin Raj, Brijesh Rathi, Dhruv Kumar

Version 1 posted 14 May 2020

859

Downloads

1

Citations

Biological and Medicinal Chemistry

Working Paper

Binding Profile Assessment of N501Y: a More Infectious Mutation on the Receptor Binding Domain of SARS-CoV-2 Spike Protein

Yuzhao Zhang, Xibing He, Viet Hoang Man, Jingchen Zhai, Beihong Ji, Junmei Wang

Version 2 posted 08 February 2021

660

Downloads

2

Citations

Physical Chemistry

Working Paper

In silico Antibody Mutagenesis for Optimizing its Binding to the Spike Protein of SARS-CoV-2

Binquan Luan, Tien Huynh

Version 1 posted 18 September 2020

539

Downloads

Theoretical and Computational Chemistry

Working Paper

Predicting spike protein NTD mutations of SARS-CoV-2 causing immune escape by molecular dynamics simulations

Liping Zhou, Leyun Wu, Cheng Peng, Yanqing Yang, Yulong Shi, Zhijian Xu, Weiliang Zhu

Version 1 posted 01 September 2021

680

Downloads

Refine Search

26 results in Spike protein in Keywords: Spike protein

Protein Footprinting, Conformational Dynamics and Interface-Adjacent Neutralization ‘Hotspots’ in the SARS-CoV-2 Spike Protein Receptor Binding Domain / Human ACE2 Interaction

Generate, Repurpose, Validate: A Receptor-Mediated Atom-by-Atom Drug Generation for SARS-Cov-2 Spike Protein and Similarity-Mapped Drug Repurposing for COVID-19 with Rigorous Free Energy Validation Using Well-Tempered Metadynamics

Identification of a Potent Inhibitor Targeting the Spike Protein of Pandemic Human Coronavirus, SARS-CoV-2 by Computational Methods

Molecular Recognition of SARS-CoV-2 Spike Glycoprotein: Quantum Chemical Hot Spot and Epitope Analyses

Using wide biological pores to cap and contain the COVID-19 spike protein

A Polyvalent Nano-Lectin Potently Neutralizes SARS-CoV-2 by Targeting Glycans on the Viral Spike Protein

Structure Based Drug Repurposing Through Targeting Nsp9 Replicase and Spike Proteins of SARS-CoV-2

Binding Profile Assessment of N501Y: a More Infectious Mutation on the Receptor Binding Domain of SARS-CoV-2 Spike Protein

In silico Antibody Mutagenesis for Optimizing its Binding to the Spike Protein of SARS-CoV-2

Predicting spike protein NTD mutations of SARS-CoV-2 causing immune escape by molecular dynamics simulations

26 results in Keywords: Spike protein