A practical implicit solvent potential for NMR structure calculation

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• 作者：Ye Tian^a ; ^b ; Charles D. Schwieters^c ; Stanley J. Opella^b ; Francesca M. Marassi^a ; ^{fmarassi@sbmri.org" class="auth_mail}
• 关键词：Protein structure ; Calculation ; Implicit solvent ; EEFx ; XPLOR-NIH ; NMR
• 刊名：Journal of Magnetic Resonance
• 出版年：June 2014
• 年：2014
• 卷：243
• 期：Complete
• 页码：54-64
• 全文大小：1261 K

文摘

<dl class="listitem" id="list_l0005"><dt class="label">•dt><dd>

d="p0275">EEFx is an implicit solvation potential for XPLOR-NIH.

dd><dt class="label">•dt><dd>

d="p0280">EEFx can be used to both fold and refine NMR structures.

dd><dt class="label">•dt><dd>

d="p0285">Use of EEFx improves structural precision, accuracy and quality.

dd><dt class="label">•dt><dd>

d="p0290">EEFx is computationally efficient.

dd><dt class="label">•dt><dd>

d="p0295">EEFx is easy to implement on standard laboratory computers.

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