about
DOCK 6: combining techniques to model RNA-small molecule complexesThe Amber biomolecular simulation programsDevelopment and testing of a general amber force fieldAutomatic atom type and bond type perception in molecular mechanical calculationsSimulations of a protein crystal with a high resolution X-ray structure: evaluation of force fields and water models.Three-dimensional molecular theory of solvation coupled with molecular dynamics in Amber.A Grid-enabled web portal for NMR structure refinement with AMBER.Force fields for protein simulations.DOCK 6: Impact of new features and current docking performance.Further along the Road Less Traveled: AMBER ff15ipq, an Original Protein Force Field Built on a Self-Consistent Physical ModelParmbsc1: a refined force field for DNA simulations.CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field.Peptide crystal simulations reveal hidden dynamicsEvaluation of DOCK 6 as a pose generation and database enrichment tool.Implementation of the SCC-DFTB method for hybrid QM/MM simulations within the amber molecular dynamics package.Evaluation of DNA Force Fields in Implicit Solvation.ff14ipq: A Self-Consistent Force Field for Condensed-Phase Simulations of Proteins.Derivation of fixed partial charges for amino acids accommodating a specific water model and implicit polarization.
P50
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P50
description
onderzoeker
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scientist
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name
David A. Case
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David A. Case
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David A. Case
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David A. Case
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David A. Case
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David A. Case
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