Amit Singh Sahrawat (Amit Singh)

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 8

Top Topics

Molecular Dynamics Simulations

Energy Transfer

Top Venues

Scientific reports

Journal of biomolecular structure & dynamics

Royal Society open science

This page only lists publications with an associated author ORCID identifier.

Publications

Michael Friess, Amit Singh Sahrawat, Bianca Kerschbaumer, Silvia Wallner, Ana Torvisco, Roland C Fischer, Karl Gruber, Peter Macheroux, Rolf Breinbauer
Asymmetric Synthesis of Chiral 2-Cyclohexenones with Quaternary Stereocenters via Ene-Reductase Catalyzed Desymmetrization of 2,5-Cyclohexadienones. ACS catalysis 14 (9) (2024)
Amit Singh Sahrawat, Nakia Polidori, Wolfgang Kroutil, Karl Gruber
Deciphering the Unconventional Reduction of C=N Bonds by Old Yellow Enzymes Using QM/MM. ACS catalysis 14 (3) (2024)
Michael Friess, Amit Singh Sahrawat, Bianca Kerschbaumer, Silvia Wallner, Ana Torvisco, Roland C Fischer, Karl Gruber, Peter Macheroux, Rolf Breinbauer
Asymmetric Synthesis of Chiral 2-Cyclohexenones with Quaternary Stereocenters via Ene-Reductase Catalyzed Desymmetrization of 2,5-Cyclohexadienones. ACS catalysis 14 (9) (2024)
Amit Singh Sahrawat, Nakia Polidori, Wolfgang Kroutil, Karl Gruber
Deciphering the Unconventional Reduction of C=N Bonds by Old Yellow Enzymes Using QM/MM. ACS catalysis 14 (3) (2024)
Vedat Durmaz, Katharina Köchl, Andreas Krassnigg, Lena Parigger, Michael Hetmann, Amit Singh Sahrawat, Daniel Nutz, Alexander Korsunsky, Ursula Kahler, Centina König, Lee Chang, Marius Krebs, Riccardo Bassetto, Tea Pavkov-Keller, Verena Resch, Karl Gruber, Georg Steinkellner, Christian C Gruber
Structural bioinformatics analysis of SARS-CoV-2 variants reveals higher hACE2 receptor binding affinity for Omicron B.1.1.529 spike RBD compared to wild type reference. Scientific reports 12 (1) (2022)
Amit Singh Sahrawat, Georg Steinkellner, Katharina Köchl, Karl Gruber, Christian C Gruber
Serine 477 plays a crucial role in the interaction of the SARS-CoV-2 spike protein with the human receptor ACE2. Scientific reports 11 (1) (2021)
Samridhi Thakal, Amit Singh Sahrawat, Vikramjeet Singh
In vitro and in silico evaluation of N-(alkyl/aryl)-2-chloro-4-nitro-5- [(4-nitrophenyl)sulfamoyl]benzamide derivatives for antidiabetic potential using docking and molecular dynamic simulations. Journal of biomolecular structure & dynamics (2020)
Amit Singh Sahrawat, Kousik Giri
Effect of arsenate substitution on phosphate repository of cell: a computational study. Royal Society open science 5 (11) (2018)