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Chemistry (Weinheim an Der Bergstrasse, Germany)|January 17, 2018
New Stretching Method for Aligning Gels: Its Application to the Measurement Residual Chemical Shift Anisotropies (RCSAs) without the Need for Isotropic Shift CorrectionErich Hellemann, Roberto R Gil
Journal of Chemical Theory and Computation|August 16, 2023
Worth the Weight: Sub-Pocket EXplorer (SubPEx), a Weighted Ensemble Method to Enhance Binding-Pocket Conformational SamplingErich Hellemann, Jacob D Durrant
Biorxiv : the Preprint Server for Biology|May 30, 2023
Worth the weight: Sub-Pocket EXplorer (SubPEx), a weighted-ensemble method to enhance binding-pocket conformational samplingErich Hellemann, Jacob D Durrant
Protein Science : a Publication of the Protein Society|March 12, 2023
Allosteric inhibition of TEM-1 β lactamase: Microsecond molecular dynamics simulations provide mechanistic insightsErich Hellemann, Amrita Nallathambi, Jacob D Durrant
Bioinformatics (Oxford, England)|June 20, 2020
Webina: an open-source library and web app that runs AutoDock Vina entirely in the web browserYuri Kochnev, Erich Hellemann, Kevin C Cassidy, et al.
The Journal of Organic Chemistry|October 7, 2016
One-Shot Determination of Residual Dipolar Couplings: Application to the Structural Discrimination of Small Molecules Containing Multiple StereocentersLaura Castañar, Manuela Garcia, Erich Hellemann, et al.
Magnetic Resonance in Chemistry : MRC|January 15, 2016
Di(ethylene glycol) methyl ether methacrylate (DEGMEMA)-derived gels align small organic molecules in methanolManuela E García, Shannon R Woodruff, Erich Hellemann, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|October 15, 2016
Mechanical Behavior of Polymer Gels for RDCs and RCSAs Collection: NMR Imaging Study of Buckling PhenomenaErich Hellemann, Rubens R Teles, Fernando Hallwass, et al.
Magnetic Resonance in Chemistry : MRC|January 13, 2018
Measurement of residual chemical shift anisotropies in compressed polymethylmethacrylate gels. Automatic compensation of gel isotropic shift contributionFernando Hallwass, Rubens R Teles, Erich Hellemann, et al.
Journal of Natural Products|January 26, 2017
Application of Residual Dipolar Couplings and Selective Quantitative NOE to Establish the Structures of Tetranortriterpenoids from Xylocarpus rumphiiWatcharee Waratchareeyakul, Erich Hellemann, Roberto R Gil, et al.
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