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Xiongwu Wu, Bernard R Brooks
Daniel R Roe, Bernard R Brooks
Xiongwu Wu, Bernard R Brooks

Synthesizing Amino Acids Modified with Reactive Carbonyls in Silico to Assess Structural Effects Using Molecular Dynamics Simulations
Published on : Apr 26, 2024

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
Published on : Jun 20, 2025

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
Published on : Jan 25, 2020