Sridhar Neelamraju

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Publications (11)

• Go-Kit: A Tool To Enable Energy Landscape Exploration of Proteins
  Journal of Chemical Information and Modeling 2019 DOI: 10.1021/acs.jcim.9b00007
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• Energy Landscape of the Designed Protein Top7
  The Journal of Physical Chemistry B 2018 DOI: 10.1021/acs.jpcb.8b08499
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• Applications of crystal structure prediction - organic molecular structures: general discussion
  Faraday discussions 2018 DOI: 10.1039/c8fd90032a
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• The threshold algorithm: Description of the methodology and new developments
  The Journal of Chemical Physics 2017 DOI: 10.1063/1.4985912
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• A Threshold-Minimization Scheme for Exploring the Energy Landscape of Biomolecules: Application to a Cyclic Peptide and a Disaccharide
  Journal of Chemical Theory and Computation 2016 DOI: 10.1021/acs.jctc.6b00118
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• Chiral effects on helicity studied via the energy landscape of short (d, l)-alanine peptides
  The Journal of Chemical Physics 2015 DOI: 10.1063/1.4933428
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• Atomistic Modeling of the Low-Temperature Atom-Beam Deposition of Magnesium Fluoride
  Inorg. Chem. 2015 DOI: 10.1021/ic501499k
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• CCL: An algorithm for the efficient comparison of clusters
  Journal of Applied Crystallography 2013 DOI: 10.1107/S0021889813006894
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• Evolution of order in amorphous-to-crystalline phase transformation of MgF<inf>2</inf>
  Journal of Applied Crystallography 2013 DOI: 10.1107/S0021889813011345
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• Ab initio and empirical energy landscapes of (MgF 2 ) n clusters (n = 3, 4)
  Phys. Chem. Chem. Phys. 2012 DOI: 10.1039/c1cp22446h
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