7 citations · 10 across the 3 of their papers we have counts for
3 papers
q-bio.BM2022★ 7 cited
TERMinator: A Neural Framework for Structure-Based Protein Design using Tertiary Repeating Motifs
Alex J. Li, Vikram Sundar, Gevorg Grigoryan +1
Computational protein design has the potential to deliver novel molecular structures, binders, and catalysts for myriad applications. Recent neural graph-based models that use back…
q-bio.BM2020★ 2 cited
Attribution Methods Reveal Flaws in Fingerprint-Based Virtual Screening
Vikram Sundar, Lucy Colwell
Fingerprint-based models for protein-ligand binding have demonstrated outstanding success on benchmark datasets; however, these models may not learn the correct binding rules. To a…
physics.chem-ph2017★ 1 cited
Reproducing Quantum Probability Distributions at the Speed of Classical Dynamics: A New Approach for Developing Force-Field Functors
Vikram Sundar, David Gelbwaser-Klimovsky, Alan Aspuru-Guzik
Modeling nuclear quantum effects is required for accurate molecular dynamics (MD) simulations of molecules. The community has paid special attention to water and other biomolecules…