As of 2020, researchers can simulate how small molecules interact with certain virtual or human proteins.

True: as of 2020, established computational methods (e.g., molecular docking, molecular dynamics) existed and were routinely used to simulate how small molecules interact with target proteins, including human and viral ones. Mostly true: such simulations existed, but with limited accuracy for some proteins. Mixed: capabilities existed only for a narrow range of proteins. Mostly false: simulations were largely unreliable or experimental. False: no such capability existed.

Set before the research began.

1. E1 Molecular dynamics simulations and drug discovery PubMed Central (PMC) · 28 October 2011

   “This review discusses the many roles atomistic computer simulations of macromolecular (for example, protein) receptors and their associated small-molecule ligands can play in drug discovery, including the identification of cryptic or allosteric binding sites, the enhancement of traditional virtual-screening methodologies, and the direct prediction of small-molecule binding energies.”

2. E2 Molecular dynamics simulations and drug discovery PubMed Central (PMC) · 28 October 2011

   “The limitations of current simulation methodologies, including the high computational costs and approximations of molecular forces required, are also discussed.”

3. E3 Molecular Docking: Shifting Paradigms in Drug Discovery PubMed Central (PMC) · 4 September 2019

   “Molecular docking is an established in silico structure-based method widely used in drug discovery.”

4. E4 Investigating the potential antiviral activity drugs against SARS-CoV-2 by molecular docking simulation PubMed Central (PMC) · 4 August 2020

   “In this study, a computational approach through molecular docking simulation is conducted for screening the antiviral activity of drugs, natural sources, and inhibitory compounds against the SARS-CoV-2 genome.”

E3 (2019) describes molecular docking as an established in silico method widely used in drug discovery. E1 (2011) describes atomistic simulations of protein receptors and small-molecule ligands used to predict binding energies and enhance virtual screening. E4 shows docking simulations applied to SARS-CoV-2 targets in 2020, though it was published slightly after the claim date. E2 notes limitations of cost and approximate force fields, but the claim only asserts that such simulation is possible, which the criteria's 'true' condition covers.