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COVID answers in Scientific Journals all over the world

36 Results       Page 1

American Chemical Society: The Journal of Physical Chemistry B
  original article Date Title Authors   All Authors
1 [GO] 2022―Jul―14 All-Atom Simulations of Human ACE2-Spike Protein RBD Complexes for SARS-CoV-2 and Some of its Variants: Nature of Interactions and Free Energy Diagrams for Dissociation of the Protein Complexes Saheb Dutta, Bhavana Panthi, Amalendu Chandra
2 [GO] 2022―Jul―12 Fast Prediction of Binding Affinities of SARS-CoV-2 Spike Protein and Its Mutants with Antibodies through Intermolecular Interaction Modeling-Based Machine Learning Alexander H. Williams, Chang-Guo Zhan
3 [GO] 2022―Jun―23 Ionization of D571 Is Coupled with SARS-CoV-2 Spike Up/Down Equilibrium Revealing the pH-Dependent Allosteric Mechanism of Receptor-Binding Domains Tong Li, Lan Yu, Jingfang Sun, Jinfeng Liu, Xiao He
4 [GO] 2022―Jun―20 SARS-CoV-2 Omicron Variant Binds to Human Cells More Strongly than the Wild Type: Evidence from Molecular Dynamics Simulation Hoang Linh Nguyen, Nguyen Quoc Thai, Phuong H. Nguyen, Mai Suan Li
5 [GO] 2022―Jun―06 Different Binding Modes of SARS-CoV-1 and SARS-CoV-2 Fusion Peptides to Cell Membranes: The Influence of Peptide Helix Length Hujun Shen, Zhenhua Wu, Ling Chen
6 [GO] 2022―May―17 Effect of an Amyloidogenic SARS-COV-2 Protein Fragment on α-Synuclein Monomers and Fibrils Asis K. Jana, Chance W. Lander, Andrew D. Chesney, Ulrich H. E. Hansmann
7 [GO] 2022―Apr―11 Cocktail of REGN Antibodies Binds More Strongly to SARS-CoV-2 Than Its Components, but the Omicron Variant Reduces Its Neutralizing Ability Hung Nguyen, Pham Dang Lan, Daniel A. Nissley, Edward P. O’Brien, Mai Suan Li
8 [GO] 2022―Mar―22 Generalized Methodology for the Quick Prediction of Variant SARS-CoV-2 Spike Protein Binding Affinities with Human Angiotensin-Converting Enzyme II Alexander H. Williams, Chang-Guo Zhan
9 [GO] 2022―Mar―10 Combined Computational NMR and Molecular Docking Scrutiny of Potential Natural SARS-CoV-2 Mpro Inhibitors Valentin A. Semenov, Leonid B. Krivdin
10 [GO] 2022―Jan―04 Detection of Covid-19 through a Heptanal Biomarker Using Transition Metal Doped Graphene Anthony Zhu, Xuan Luo
11 [GO] 2021―Dec―14 In Silico Elucidation of Potent Inhibitors and Rational Drug Design against SARS-CoV-2 Papain-like Protease Kamonpan Sanachai, Panupong Mahalapbutr, Vannajan Sanghiran Lee, Thanyada Rungrotmongkol, Supot Hannongbua
12 [GO] 2021―Sep―27 Curious Binding Energy Increase between the Receptor-Binding Domain of the SARS-CoV-2 Spike Protein and Angiotensin-Converting Enzyme 2 Adsorbed on a Silane Monolayer from Molecular Dynamics Simulations Solène Lecot, Yann Chevolot, Magali Phaner-Goutorbe, Christelle Yeromonahos
13 [GO] 2021―Sep―21 Bioactive Ag3PO4/Polypropylene Composites for Inactivation of SARS-CoV-2 and Other Important Public Health Pathogens Lara K. Ribeiro, Marcelo Assis, Lais R. Lima, Dyovani Coelho, Mariana O. Gonçalves, Robert S. Paiva, et al. (+11)
14 [GO] 2021―Aug―09 Presence of a SARS-CoV-2 Protein Enhances Amyloid Formation of Serum Amyloid A Asis K. Jana, Augustus B. Greenwood, Ulrich H. E. Hansmann
15 [GO] 2021―Jul―30 Role of ATP in the RNA Translocation Mechanism of SARS-CoV-2 NSP13 Helicase Ryan Weber, Martin McCullagh
16 [GO] 2021―Jul―28 Accelerating COVID-19 Research Using Molecular Dynamics Simulation Aditya K. Padhi, Soumya Lipsa Rath, Timir Tripathi
17 [GO] 2021―Jul―23 Structural Decoding of a Small Molecular Inhibitor on the Binding of SARS-CoV-2 to the ACE 2 Receptor Pushpendra Mani Mishra, Chayan Kanti Nandi
18 [GO] 2021―Jul―13 Binding of SARS-CoV-2 Fusion Peptide to Host Endosome and Plasma Membrane Stefan L. Schaefer, Hendrik Jung, Gerhard Hummer
19 [GO] 2021―Jul―06 Electrostatic Interactions Explain the Higher Binding Affinity of the CR3022 Antibody for SARS-CoV-2 than the 4A8 Antibody Hung Nguyen, Pham Dang Lan, Daniel A. Nissley, Edward P. O’Brien, Mai Suan Li
20 [GO] 2021―Jun―11 Targeting SARS-CoV-2 Receptor Binding Domain with Stapled Peptides: An In Silico Study Luana Janaína de Campos, Nicholas Y. Palermo, Martin Conda-Sheridan
21 [GO] 2021―Jun―10 Structural and Dynamical Differences in the Spike Protein RBD in the SARS-CoV-2 Variants B.1.1.7 and B.1.351 Nisha Bhattarai, Prabin Baral, Bernard S. Gerstman, Prem P. Chapagain
22 [GO] 2021―May―12 Critical Interactions Between the SARS-CoV-2 Spike Glycoprotein and the Human ACE2 Receptor Elhan Taka, Sema Z. Yilmaz, Mert Golcuk, Ceren Kilinc, Umut Aktas, Ahmet Yildiz, Mert Gur
23 [GO] 2021―Apr―30 Integrated Biophysical Modeling of the SARS-CoV-2 Spike Protein Binding and Allosteric Interactions with Antibodies Gennady M. Verkhivker, Luisa Di Paola
24 [GO] 2021―Apr―23 Fast Prediction of Binding Affinities of the SARS-CoV-2 Spike Protein Mutant N501Y (UK Variant) with ACE2 and Miniprotein Drug Candidates Alexander H. Williams, Chang-Guo Zhan
25 [GO] 2021―Mar―03 An Active Site Inhibitor Induces Conformational Penalties for ACE2 Recognition by the Spike Protein of SARS-CoV-2 Billy J. Williams-Noonan, Nevena Todorova, Ketav Kulkarni, Marie-Isabel Aguilar, Irene Yarovsky
26 [GO] 2021―Jan―15 Dynamic Network Modeling of Allosteric Interactions and Communication Pathways in the SARS-CoV-2 Spike Trimer Mutants: Differential Modulation of Conformational Landscapes and Signal Transmission via Cascades of Regulatory Switches Gennady M. Verkhivker, Luisa Di Paola
27 [GO] 2020―Dec―02 Remdesivir Strongly Binds to Both RNA-Dependent RNA Polymerase and Main Protease of SARS-CoV-2: Evidence from Molecular Simulations Hoang Linh Nguyen, Nguyen Quoc Thai, Duc Toan Truong, Mai Suan Li
28 [GO] 2020―Nov―17 Computational Design of 25-mer Peptide Binders of SARS-CoV-2 Thassanai Sitthiyotha, Surasak Chunsrivirot
29 [GO] 2020―Nov―15 Revealing the Inhibition Mechanism of RNA-Dependent RNA Polymerase (RdRp) of SARS-CoV-2 by Remdesivir and Nucleotide Analogues: A Molecular Dynamics Simulation Study Padmaja D. Wakchaure, Shibaji Ghosh, Bishwajit Ganguly
30 [GO] 2020―Nov―11 How Alcoholic Disinfectants Affect Coronavirus Model Membranes: Membrane Fluidity, Permeability, and Disintegration Hossein Eslami, Shubhadip Das, Tianhang Zhou, Florian Müller-Plathe
31 [GO] 2020―Oct―28 Critical Sequence Hotspots for Binding of Novel Coronavirus to Angiotensin Converter Enzyme as Evaluated by Molecular Simulations Mahdi Ghorbani, Bernard R. Brooks, Jeffery B. Klauda
32 [GO] 2020―Oct―23 Antiviral Peptides as Promising Therapeutics against SARS-CoV-2 Surid Mohammad Chowdhury, Shafi Ahmad Talukder, Akib Mahmud Khan, Nadia Afrin, Md Ackas Ali, Rajib Islam, et al. (+6)
33 [GO] 2020―Jul―29 Does SARS-CoV-2 Bind to Human ACE2 Stronger Than SARS-CoV? Hoang Linh Nguyen, Pham Dang Lan, Nguyen Quoc Thai, Daniel A. Nissley, Edward P. O'Brien, Mai Suan Li
34 [GO] 2020―Jun―19 Developing a Fully-glycosylated Full-length SARS-CoV-2 Spike Protein Model in a Viral Membrane Hyeonuk Woo, Sang-Jun Park, Yeol Kyo Choi, Taeyong Park, Maham Tanveer, Yiwei Cao, et al. (+6)
35 [GO] 2020―Jun―17 Critical Differences Between the Binding Features of the Spike Proteins of SARS-CoV-2 and SARS-CoV Chen Bai, Arieh Warshel
36 [GO] 2020―Jun―10 Structural basis of potential binding mechanism of remdesivir to SARS-CoV-2 RNA dependent RNA polymerase Leili Zhang, Ruhong Zhou

36 Results       Page 1


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