col blocks we are bridge builder col blocks
COVID answers in Scientific Journals all over the world

American Chemical Society: The Journal of Physical Chemistry Letters
  original article Date Title Authors   All Authors
1 [GO] 2021―Jul―01 Interfacial Water Many-Body Effects Drive Structural Dynamics and Allosteric Interactions in SARS-CoV-2 Main Protease Dimerization Interface Dina El Ahdab, Louis Lagardère, Théo Jaffrelot Inizan, Fréderic Célerse, Chengwen Liu, Olivier Adjoua, et al. (+6)
2 [GO] 2021―Jul―01 Regulation Mechanism for the Binding between the SARS-CoV-2 Spike Protein and Host Angiotensin-Converting Enzyme II Haiyi Chen, Yu Kang, Mojie Duan, Tingjun Hou
3 [GO] 2021―Jun―23 Allosteric Cross-Talk among Spike’s Receptor-Binding Domain Mutations of the SARS-CoV-2 South African Variant Triggers an Effective Hijacking of Human Cell Receptor Angelo Spinello, Andrea Saltalamacchia, Jure Borišek, Alessandra Magistrato
4 [GO] 2021―Jun―10 Conformational Dynamics in the Interaction of SARS-CoV-2 Papain-like Protease with Human Interferon-Stimulated Gene 15 Protein Wellington C. Leite, Kevin L. Weiss, Gwyndalyn Phillips, Qiu Zhang, Shuo Qian, Susan E. Tsutakawa, et al. (+2)
5 [GO] 2021―Jun―04 Machine Learning Reveals the Critical Interactions for SARS-CoV-2 Spike Protein Binding to ACE2 Anna Pavlova, Zijian Zhang, Atanu Acharya, Diane L. Lynch, Yui Tik Pang, Zhongyu Mou, et al. (+3)
6 [GO] 2021―Apr―26 Tuning Proton Transfer Thermodynamics in SARS-CoV-2 Main Protease: Implications for Catalysis and Inhibitor Design Laura Zanetti-Polzi, Micholas Dean Smith, Chris Chipot, James C. Gumbart, Diane L. Lynch, Anna Pavlova, et al. (+2)
7 [GO] 2021―Apr―23 Intermolecular Interaction Analyses on SARS-CoV-2 Spike Protein Receptor Binding Domain and Human Angiotensin-Converting Enzyme 2 Receptor-Blocking Antibody/Peptide Using Fragment Molecular Orbital Calculation Kazuki Watanabe, Chiduru Watanabe, Teruki Honma, Yu-Shi Tian, Yusuke Kawashima, Norihito Kawashita, et al. (+2)
8 [GO] 2021―Mar―10 Theoretical Analysis Reveals the Cost and Benefit of Proofreading in Coronavirus Genome Replication Joel D. Mallory, Xian F. Mallory, Anatoly B. Kolomeisky, Oleg A. Igoshin
9 [GO] 2021―Feb―13 Kobophenol A Inhibits Binding of Host ACE2 Receptor with Spike RBD Domain of SARS-CoV-2, a Lead Compound for Blocking COVID-19 Suresh Gangadevi, Vishnu Nayak Badavath, Abhishek Thakur, Na Yin, Steven De Jonghe, Orlando Acevedo, et al. (+6)
10 [GO] 2021―Feb―02 Retrained Generic Antibodies Can Recognize SARS-CoV-2 Yanxiao Han, Katherine D. McReynolds, Petr Král
11 [GO] 2021―Jan―29 On Drug-Membrane Permeability of Antivirals for SARS-CoV-2 Changjiang Liu, Paolo Elvati, Angela Violi
12 [GO] 2020―Dec―12 Candidate Binding Sites for Allosteric Inhibition of the SARS-CoV-2 Main Protease from the Analysis of Large-Scale Molecular Dynamics Simulations Matteo Carli, Giulia Sormani, Alex Rodriguez, Alessandro Laio
13 [GO] 2020―Dec―05 Computational Insights into the Conformational Accessibility and Binding Strength of SARS-CoV-2 Spike Protein to Human Angiotensin-Converting Enzyme 2 Cheng Peng, Zhengdan Zhu, Yulong Shi, Xiaoyu Wang, Kaijie Mu, Yanqing Yang, et al. (+3)
14 [GO] 2020―Dec―03 Molecular Dynamics Reveals Complex Compensatory Effects of Ionic Strength on the Severe Acute Respiratory Syndrome Coronavirus 2 Spike/Human Angiotensin-Converting Enzyme 2 Interaction Anacleto Silva de Souza, Jose David Rivera, Vitor Medeiros Almeida, Pingju Ge, Robson Francisco de Souza, Chuck Shaker Farah, et al. (+4)
15 [GO] 2020―Nov―23 Theoretical Design of Functionalized Gold Nanoparticles as Antiviral Agents against Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) Aliyeh Mehranfar, Mohammad Izadyar
16 [GO] 2020―Nov―12 Decoding Asymptomatic COVID-19 Infection and Transmission Rui Wang, Jiahui Chen, Yuta Hozumi, Changchuan Yin, Guo-Wei Wei
17 [GO] 2020―Nov―11 Epitope-Based Potential Vaccine Candidate for Humoral and Cell-Mediated Immunity to Combat Severe Acute Respiratory Syndrome Coronavirus 2 Pandemic Bratin Kumar Das, Debashree Chakraborty
18 [GO] 2020―Nov―05 In Silico Antibody Mutagenesis for Optimizing Its Binding to Spike Protein of Severe Acute Respiratory Syndrome Coronavirus 2 Binquan Luan, Tien Huynh
19 [GO] 2020―Nov―02 Structure of the SARS-CoV-2 Nsp1/5′-Untranslated Region Complex and Implications for Potential Therapeutic Targets, a Vaccine, and Virulence Naveen Vankadari, Nandhini Nisha Jeyasankar, Wilma Jerom Lopes
20 [GO] 2020―Oct―26 COSMO-RS-Based Descriptors for the Machine Learning-Enabled Screening of Nucleotide Analogue Drugs against SARS-CoV-2 Sergey Gusarov, Stanislav R. Stoyanov
21 [GO] 2020―Oct―21 Thermodynamics of the Interaction between the Spike Protein of Severe Acute Respiratory Syndrome Coronavirus-2 and the Receptor of Human Angiotensin-Converting Enzyme 2. Effects of Possible Ligands Cristina García-Iriepa, Cécilia Hognon, Antonio Francés-Monerris, Isabel Iriepa, Tom Miclot, Giampaolo Barone, et al. (+2)
22 [GO] 2020―Oct―14 Discovery of COVID-19 Inhibitors Targeting the SARS-CoV-2 Nsp13 Helicase Mark Andrew White, Wei Lin, Xiaodong Cheng
23 [GO] 2020―Sep―04 The Answer Lies in the Energy: How Simple Atomistic Molecular Dynamics Simulations may Hold the Key to Epitope Prediction on the Fully Glycosylated SARS-CoV-2 Spike Protein Stefano Artin Serapian, Filippo Marchetti, Alice Triveri, Giulia Morra, Massimiliano Meli, Elisabetta Moroni, et al. (+3)
24 [GO] 2020―Aug―25 Alkamides and Piperamides as Potential Antivirals Against the Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) Juan Manuel Gutierrez-Villagomez, Tonatiu Campos-García, Jorge Molina Torres, Mercedes G. López, Juan Vázquez-Martínez
25 [GO] 2020―Aug―05 Screening of Therapeutic Agents for COVID-19 Using Machine Learning and Ensemble Docking Studies Rohit Batra, Henry Chan, Ganesh Kamath, Rampi Ramprasad, Mathew J. Cherukara, Subramanian K.R.S. Sankaranarayanan
26 [GO] 2020―Aug―03 Dynamic Asymmetry Exposes 2019-nCoV Prefusion Spike Susmita Roy, Akhilesh Jaiswar, Raju Sarkar
27 [GO] 2020―Jul―28 Repurposing Low-Molecular-Weight Drugs Against the Main Protease of Severe Acute Respiratory Syndrome Coronavirus 2 Jia Gao, Liang Zhang, Xiaodan Liu, Fudong Li, Rongsheng Ma, Zhongliang Zhu, et al. (+6)
28 [GO] 2020―Jul―28 Structure of Furin Protease Binding to SARS-CoV-2 Spike Glycoprotein and Implications for Potential Targets and Virulence Naveen Vankadari
29 [GO] 2020―Jun―16 Repositioning of 8565 Existing Drugs for COVID-19 Kaifu Gao, Duc D. Nguyen, Jiahui Chen, Rui Wang, Guowei Wei
30 [GO] 2020―Jun―15 Role of RNA Guanine Quadruplexes in Favoring the Dimerization of SARS Unique Domain in Coronaviruses Cecilia Hognon, Tom Miclot, Cristina Garcia-Iriepa, Antonio Francés-Monerris, Stephanie Grandemange, Alessio Terenzi, et al. (+3)
31 [GO] 2020―Jun―01 Comparing the Binding Interactions in the Receptor Binding Domains of SARS-CoV-2 and SARS-CoV Muhamed Amin, Mariam K. Sorour, Amal Kasry
32 [GO] 2020―May―28 Is the Rigidity of SARS-CoV-2 Spike Receptor-Binding Motif the Hallmark for Its Enhanced Infectivity? Insights from All-Atoms Simulations Angelo Spinello, Andrea Saltalamacchia, Alessandra Magistrato
33 [GO] 2020―May―14 In Silico Exploration of Molecular Mechanism of Clinically Oriented Drugs for Possibly Inhibiting SARS-CoV-2's Main Protease Tien Huynh, Haoran Wang, Binquan Luan
34 [GO] 2020―May―11 Novel Coronavirus Polymerase and Nucleotidyl-transferase Structures: Potential to Target New Outbreaks Wenfa Zhang, Preyesh Stephen, Jean-François Thériault, Ruixuan Wang, Sheng-Xiang Lin


[de][en]

Last change 2021―Jun―30 20:09:44 UTC

© Daten-Quadrat 2021       Done in 0.013 sec