| |
original article |
Date |
Title |
Authors Max. 6 Authors |
| 1 |
[GO] |
2025―Mar―17 |
Design of Mimetic Antibodies Targeting the SARS-CoV-2 Spike Glycoprotein Based on the GB1 Domain: A Molecular Simulation and Experimental Study |
Anderson A. E Santo, Aline Reis, Anderson A. Pinheiro, Paulo I. da Costa, Gustavo T. Feliciano |
| 2 |
[GO] |
2025―Feb―05 |
A Cascade of Conformational Switches in SARS-CoV-2 Frameshifting: Coregulation by Upstream and Downstream Elements |
Samuel Lee, Shuting Yan, Abhishek Dey, Alain Laederach, Tamar Schlick |
| 3 |
[GO] |
2025―Jan―30 |
Structural and Mechanistic Insights into the Main Protease (Mpro) Dimer Interface Destabilization Inhibitor: Unveiling New Therapeutic Avenues against SARS-CoV-2 |
Ankur Singh, Kuldeep Jangid, Sanketkumar Nehul, Preeti Dhaka, Ruchi Rani, Akshay Pareek, Gaurav Kumar Sharma, Pravindra Kumar, Shailly Tomar |
| 4 |
[GO] |
2025―Jan―10 |
A High-Throughput Screening Pipeline to Identify Methyltransferase and Exonuclease Inhibitors of SARS-CoV-2 NSP14 |
Quinlin Hanson, Xin Hu, Sourav Pal, Katlin Recabo, Lin Ye, Ivy Poon, John-Paul Denson, Simon Messing, Min Shen, Kelli M. Wilson, Alexey Zakharov, Dominic Esposito, Natalia J. Martinez |
| 5 |
[GO] |
2024―Dec―30 |
How Polyproline Type II Conformation at P2 Residues Influences the Success of Proline-Based Peptidyl Inhibitors Against Coronavirus Main Protease |
Pathum Manjula Weerawarna |
| 6 |
[GO] |
2024―Dec―21 |
Disruption of Molecular Interactions between the G3BP1 Stress Granule Host Protein and the Nucleocapsid (NTD-N) Protein Impedes SARS-CoV-2 Virus Replication |
Preeti Dhaka, Ankur Singh, Sanketkumar Nehul, Shweta Choudhary, Prasan Kumar Panda, Gaurav Kumar Sharma, Pravindra Kumar, Shailly Tomar |
| 7 |
[GO] |
2024―Nov―08 |
The Conformational Space of the SARS-CoV-2 Main Protease Active Site Loops Is Determined by Ligand Binding and Interprotomer Allostery |
Ethan Lee, Sarah Rauscher |
| 8 |
[GO] |
2024―Oct―21 |
High-Throughput Algorithmic Optimization of In Vitro Transcription for SARS-CoV-2 mRNA Vaccine Production |
Spencer E. McMinn, Danielle V. Miller, Daniel Yur, Kevin Stone, Yuting Xu, Ajit Vikram, Shashank Murali, Jessica Raffaele, David Holland, Sheng-Ching Wang, Joseph P. Smith |
| 9 |
[GO] |
2024―May―10 |
Structure of the SARS-CoV-2 Frameshift Stimulatory Element with an Upstream Multibranch Loop |
Jake M. Peterson, Scott T. Becker, Collin A. O’Leary, Puneet Juneja, Yang Yang, Walter N. Moss |
| 10 |
[GO] |
2024―May―08 |
Characterization of nsp1 Binding to the Viral RNA Leader Sequence of Severe Acute Respiratory Syndrome Coronavirus |
Jonathan L. Cromer, Laurie F. Melton, Kaitlin M. Caughman, Anita Nag |
| 11 |
[GO] |
2024―Mar―08 |
RaptGen-Assisted Generation of an RNA/DNA Hybrid Aptamer against SARS-CoV-2 Spike Protein |
Tatsuo Adachi, Shigetaka Nakamura, Akiya Michishita, Daiki Kawahara, Mizuki Yamamoto, Michiaki Hamada, Yoshikazu Nakamura |
| 12 |
[GO] |
2024―Feb―08 |
BRD4354 Is a Potent Covalent Inhibitor against the SARS-CoV-2 Main Protease |
Yan J. Sheng, Syuan-Ting A. Kuo, Tingyuan Yang, Hanyuan E. Zhang, David H. Russell, Xin Yan, Shiqing Xu, Wenshe R. Liu, Carol A. Fierke |
| 13 |
[GO] |
2024―Jan―13 |
Differences in Oligomerization of the SARS-CoV-2 Envelope Protein, Poliovirus VP4, and HIV Vpu |
Julia A. Townsend, Oluwaseun Fapohunda, Zhihan Wang, Hieu Pham, Michael T. Taylor, Brian Kloss, Sang Ho Park, Stanley Opella, Craig A. Aspinwall, Michael T. Marty |
| 14 |
[GO] |
2023―Oct―20 |
SARS-CoV-2 Fusion Domain Provides Clues toward the Molecular Mechanism for Membrane Fusion |
Daniel Birtles, Jinwoo Lee |
| 15 |
[GO] |
2023―Jun―21 |
Irreversible Inactivation of SARS-CoV-2 by Lectin Engagement with Two Glycan Clusters on the Spike Protein |
Aakansha Nangarlia, Farah Fazloon Hassen, Gabriela Canziani, Praneeta Bandi, Choya Talukder, Fengwen Zhang, Douglas Krauth, Ebony N. Gary, David B. Weiner, Paul Bieniasz, Sonia Navas-Martin, Barry R. O’Keefe, Charles G. Ang, Irwin Chaiken |
| 16 |
[GO] |
2023―May―24 |
Evaluation of the Inhibition Potency of Nirmatrelvir against Main Protease Mutants of SARS-CoV-2 Variants |
Haihai Jiang, Yanru Zhou, Xiaofang Zou, Xiaohui Hu, Jie Wang, Pei Zeng, Wenwen Li, Xiangyi Zeng, Jin Zhang, Jian Li |
| 17 |
[GO] |
2023―May―19 |
Biochemical and HDX Mass Spectral Characterization of the SARS-CoV-2 Nsp1 Protein |
Nawneet Mishra, Ravi Kant, Daisy W. Leung, Michael L. Gross, Gaya K. Amarasinghe |
| 18 |
[GO] |
2023―Jan―19 |
Mutation Effects on Structure and Dynamics: Adaptive Evolution of the SARS-CoV-2 Main Protease |
Elizabeth M. Diessner, Gemma R. Takahashi, Thomas J. Cross, Rachel W. Martin, Carter T. Butts |
| 19 |
[GO] |
2022―Dec―30 |
Computational Approaches for Development of Engineered Therapeutics against SARS-CoV-2 |
Aryaman Joshi, Timir Tripathi, Sumit K. Singh, Aditya K. Padhi |
| 20 |
[GO] |
2022―Nov―03 |
Predicting Antiviral Resistance Mutations in SARS-CoV-2 Main Protease with Computational and Experimental Screening |
Vishnu M. Sasi, Sven Ullrich, Jennifer Ton, Sarah E. Fry, Jason Johansen-Leete, Richard J. Payne, Christoph Nitsche, Colin J. Jackson |
| 21 |
[GO] |
2022―Oct―11 |
SARS-CoV-2 Envelope Protein Forms Clustered Pentamers in Lipid Bilayers |
Noah H. Somberg, Westley W. Wu, João Medeiros-Silva, Aurelio J. Dregni, Hyunil Jo, William F. DeGrado, Mei Hong |
| 22 |
[GO] |
2022―Sep―27 |
Energetics of Spike Protein Opening of SARS-CoV-1 and SARS-CoV-2 and Its Variants of Concern: Implications in Host Receptor Scanning and Transmission |
Jasdeep Singh, Shubham Vashishtha, Syed Asad Rahman, Nasreen Zafar Ehtesham, Anwar Alam, Bishwajit Kundu, Ulrich Dobrindt |
| 23 |
[GO] |
2022―Aug―31 |
Structural Insights into Binding of Remdesivir Triphosphate within the Replication-Transcription Complex of SARS-CoV-2 |
Jimin Wang, Yuanjun Shi, Krystle Reiss, Federica Maschietto, Elias Lolis, William H. Konigsberg, George P. Lisi, Victor S. Batista |
| 24 |
[GO] |
2022―Aug―09 |
Recently Designed Multivalent Spike Binders Cannot Bind Multivalently─How Do They Achieve Enhanced Avidity to SARS-CoV-2? |
Harold P. Erickson, Lauren Corbin Goodman |
| 25 |
[GO] |
2022―May―05 |
Convergent Evolution of Multiple Mutations Improves the Viral Fitness of SARS-CoV-2 Variants by Balancing Positive and Negative Selection |
Vaibhav Upadhyay, Casey Patrick, Alexandra Lucas, Krishna M. G. Mallela |
| 26 |
[GO] |
2022―Feb―24 |
Insights into Binding of Single-Stranded Viral RNA Template to the Replication-Transcription Complex of SARS-CoV-2 for the Priming Reaction from Molecular Dynamics Simulations |
Jimin Wang, Yuanjun Shi, Krystle Reiss, Brandon Allen, Federica Maschietto, Elias Lolis, William H. Konigsberg, George P. Lisi, Victor S. Batista |
| 27 |
[GO] |
2021―Sep―27 |
Identifying Distinct Structural Features of the SARS-CoV-2 Spike Protein Fusion Domain Essential for Membrane Interaction |
Daniel Birtles, Jinwoo Lee |
| 28 |
[GO] |
2021―Sep―10 |
Pan-3C Protease Inhibitor Rupintrivir Binds SARS-CoV-2 Main Protease in a Unique Binding Mode |
Gordon J. Lockbaum, Mina Henes, Jeong Min Lee, Jennifer Timm, Ellen A. Nalivaika, Paul R. Thompson, Nese Kurt Yilmaz, Celia A. Schiffer |
| 29 |
[GO] |
2021―Jul―02 |
Site-Specific Steric Control of SARS-CoV-2 Spike Glycosylation |
Joel D. Allen, Himanshi Chawla, Firdaus Samsudin, Lorena Zuzic, Aishwary Tukaram Shivgan, Yasunori Watanabe, Wan-ting He, Sean Callaghan, Ge Song, Peter Yong, Philip J. M. Brouwer, Yutong Song, Yongfei Cai, Helen M. E. Duyvesteyn, Tomas Malinauskas, Joeri Kint, Paco Pino, Maria J. Wurm, Martin Frank, Bing Chen, David I. Stuart, Rogier W. Sanders, Raiees Andrabi, Dennis R. Burton, Sai Li, Peter J. Bond, Max Crispin |
| 30 |
[GO] |
2021―Jul―01 |
Protein Engineering in the Design of Protein-Protein Interactions: SARS-CoV-2 Inhibitors as a Test Case |
Jiří Zahradník, Gideon Schreiber |
| 31 |
[GO] |
2021―Jun―10 |
Mechanism of Inhibition of the Reproduction of SARS-CoV-2 and Ebola Viruses by Remdesivir |
Jimin Wang, Krystle Reiss, Yuanjun Shi, Elias Lolis, George P. Lisi, Victor S. Batista |
| 32 |
[GO] |
2021―Jun―03 |
“Just in Time”: The Role of Cryo-Electron Microscopy in Combating Recent Pandemics |
Joachim Frank |
| 33 |
[GO] |
2021―Apr―26 |
Comparative Perturbation-Based Modeling of the SARS-CoV-2 Spike Protein Binding with Host Receptor and Neutralizing Antibodies: Structurally Adaptable Allosteric Communication Hotspots Define Spike Sites Targeted by Global Circulating Mutations |
Gennady M. Verkhivker, Steve Agajanian, Deniz Yazar Oztas, Grace Gupta |
| 34 |
[GO] |
2021―Feb―11 |
Enhanced Cholesterol-Dependent Hemifusion by Internal Fusion Peptide 1 of SARS Coronavirus-2 Compared to Its N-Terminal Counterpart |
Gourab Prasad Pattnaik, Surajit Bhattacharjya, Hirak Chakraborty |
| 35 |
[GO] |
2020―Nov―18 |
Exploring the Mechanism of Covalent Inhibition: Simulating the Binding Free Energy of α-Ketoamide Inhibitors of the Main Protease of SARS-CoV-2 |
Dibyendu Mondal, Arieh Warshel |
| 36 |
[GO] |
2020―Sep―15 |
Sequence Characterization and Molecular Modeling of Clinically Relevant Variants of the SARS-CoV-2 Main Protease |
Thomas J. Cross, Gemma R. Takahashi, Elizabeth M. Diessner, Marquise G. Crosby, Vesta Farahmand, Shannon Zhuang, Carter T. Butts, Rachel W. Martin |
| 37 |
[GO] |
2020―Jun―24 |
Molecular Basis for ADP-ribose Binding to the Mac1 Domain of SARS-CoV-2 Nsp3 |
David N. Frick, Rajdeep S Virdi, Nemanja Vuksanovic, Narayan Dahal, Nicholas R. Silvaggi |
| 38 |
[GO] |
2020―Apr―15 |
Why are lopinavir and ritonavir effective against the newly emerged Coronavirus 2019?: Atomistic insights into the inhibitory mechanisms |
Bodee Nutho, Panupong Mahalapbutr, Kowit Hengphasatporn, Nawanwat Chainuwong Pattaranggoon, Nattapon Simanon, Yasuteru Shigeta, Supot Hannongbua, Thanyada Rungrotmongkol |
