Positions

Selected Publications

Academic Article

Year Title Altmetric
2019 Probing light chain mutation effects on thrombin via molecular dynamics simulations and machine learningJournal of Biomolecular Structure and Dynamics.  37:982-999. 2019
2018 Cluster-based network proximities for arbitrary nodal subsetsScientific Reports.  8. 2018
2018 Using correlated motions to determine sufficient sampling times for molecular dynamicsPhysical Review E.  98. 2018
2018 Visualizing correlated motion with HDBSCAN clusteringProtein Science.  27:62-75. 2018
2017 All-Atom MD Predicts Magnesium-Induced Hairpin in Chemically Perturbed RNA Analog of F10 Therapeutic 2017
2017 MutSα's multi-domain allosteric response to three DNA damage types revealed by machine learning 2017
2017 Binding site configurations probe the structure and dynamics of the zinc finger of NEMO (NF-κB Essential Modulator)Biochemistry.  56:623-633. 2017
2017 All-atom MD indicates ion-dependent behavior of therapeutic DNA polymerPhysical Chemistry Chemical Physics.  19:22363-22374. 2017
2017 Mechanistic insights into thrombin's switch between "slow" and "fast" formsPhysical Chemistry Chemical Physics.  19:24522-24533. 2017
2016 Uncovering Large-Scale Conformational Change in Molecular Dynamics without Prior Knowledge 2016
2016 All-atom molecular dynamics reveals mechanism of zinc complexation with therapeutic F10 2016
2016 Visualizing ensembles in structural biology 2016

Chapter

Year Title Altmetric
2016 Molecular Dynamics Simulations and Computer-Aided Drug Discovery.  1-30. 2016

Education And Training

  • Doctor of Philosophy in Physics, Wake Forest University 2018
  • Master of Sciences or Mathematics in Mathematics and Statistics, Wake Forest University 2018
  • Bachelor of Science or Mathematics in Physics, Birmingham-Southern College 2011
  • Bachelor of Arts in Philosophy, Birmingham-Southern College 2011
  • Full Name

  • Ryan Melvin