Literature DB >> 33378852

COVID19 - Computational Chemists Meet the Moment.

Adrian J Mulholland1, Rommie E Amaro2.   

Abstract

Entities:  

Year:  2020        PMID： 33378852     DOI： 10.1021/acs.jcim.0c01395

Source DB:  PubMed          Journal:  J Chem Inf Model        ISSN： 1549-9596            Impact factor:   4.956


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  5 in total

1.  Allosteric control of ACE2 peptidase domain dynamics.

Authors:  Francesco Trozzi; Nischal Karki; Zilin Song; Niraj Verma; Elfi Kraka; Brian D Zoltowski; Peng Tao
Journal:  Org Biomol Chem       Date:  2022-05-04       Impact factor: 3.890

Review 2.  Structural biology in the time of COVID-19: perspectives on methods and milestones.

Authors:  Miranda L Lynch; Edward H Snell; Sarah E J Bowman
Journal:  IUCrJ       Date:  2021-04-23       Impact factor: 4.769

3.  Identification of Anti-SARS-CoV-2 Compounds from Food Using QSAR-Based Virtual Screening, Molecular Docking, and Molecular Dynamics Simulation Analysis.

Authors:  Magdi E A Zaki; Sami A Al-Hussain; Vijay H Masand; Siddhartha Akasapu; Sumit O Bajaj; Nahed N E El-Sayed; Arabinda Ghosh; Israa Lewaa
Journal:  Pharmaceuticals (Basel)       Date:  2021-04-13

4.  GlycoGrip: Cell Surface-Inspired Universal Sensor for Betacoronaviruses.

Authors:  Sang Hoon Kim; Fiona L Kearns; Mia A Rosenfeld; Lorenzo Casalino; Micah J Papanikolas; Carlos Simmerling; Rommie E Amaro; Ronit Freeman
Journal:  ACS Cent Sci       Date:  2021-12-15       Impact factor: 14.553

5.  Identification of Food Compounds as inhibitors of SARS-CoV-2 main protease using molecular docking and molecular dynamics simulations.

Authors:  Vijay H Masand; Md Fulbabu Sk; Parimal Kar; Vesna Rastija; Magdi E A Zaki
Journal:  Chemometr Intell Lab Syst       Date:  2021-07-22       Impact factor: 3.491
  5 in total

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