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computer-assisted drug design

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2 results in Keywords: computer-assisted drug design

Theoretical and Computational Chemistry

Accelerated Molecular Dynamics for Structural Prediction in Protein/Peptide Binding: The SLICE Method

James McFarlane, Katherine Krause, Irina Paci

Version 1 posted 20 June 2019

679

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Theoretical and Computational Chemistry

One size does not fit all: revising traditional paradigms for QSAR-based virtual screenings.

James Wellnitz, Sankalp Jain, Joshua Hochuli, Travis Maxfield, Eugene Muratov, Alexander Tropsha, Alexey Zakharov

Version 1 posted 26 December 2023

265

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