Evaluating the Effects of Cutoffs and Treatment of Long-range Electrostatics in Protein Folding Simulations

• Stefano Piana ,

  Contributed equally to this work with: Stefano Piana, Kresten Lindorff-Larsen, Robert M. Dirks

  * E-mail: Stefano.Piana-Agostinetti@DEShawResearch.com (SP); Kresten.Lindorff-Larsen@DEShawResearch.com (KL-L); David.Shaw@DEShawResearch.com (DES)

  Affiliation D. E. Shaw Research, New York, New York, United States of America

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• Kresten Lindorff-Larsen ,

  Contributed equally to this work with: Stefano Piana, Kresten Lindorff-Larsen, Robert M. Dirks

  * E-mail: Stefano.Piana-Agostinetti@DEShawResearch.com (SP); Kresten.Lindorff-Larsen@DEShawResearch.com (KL-L); David.Shaw@DEShawResearch.com (DES)

  Affiliation D. E. Shaw Research, New York, New York, United States of America

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• Robert M. Dirks ,

  Contributed equally to this work with: Stefano Piana, Kresten Lindorff-Larsen, Robert M. Dirks

  Affiliation D. E. Shaw Research, New York, New York, United States of America

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• John K. Salmon,

  Affiliation D. E. Shaw Research, New York, New York, United States of America

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• Ron O. Dror,

  Affiliation D. E. Shaw Research, New York, New York, United States of America

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• David E. Shaw

  * E-mail: Stefano.Piana-Agostinetti@DEShawResearch.com (SP); Kresten.Lindorff-Larsen@DEShawResearch.com (KL-L); David.Shaw@DEShawResearch.com (DES)

  Affiliations D. E. Shaw Research, New York, New York, United States of America, Center for Computational Biology and Bioinformatics, Columbia University, New York, New York, United States of America

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