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Sandeep Somani, Ph.D. - Publications

Affiliations: 
2011 Chemical Physics University of Maryland, College Park, College Park, MD 
Area:
General Biophysics, Applied Mathematics
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8 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2015 Somani S, Okamoto Y, Ballard AJ, Wales DJ. Equilibrium molecular thermodynamics from Kirkwood sampling. The Journal of Physical Chemistry. B. 119: 6155-69. PMID 25915525 DOI: 10.1021/Acs.Jpcb.5B01800  0.398
2015 Ballard AJ, Martiniani S, Stevenson JD, Somani S, Wales DJ. Exploiting the potential energy landscape to sample free energy Wiley Interdisciplinary Reviews: Computational Molecular Science. 5: 273-289. DOI: 10.1002/Wcms.1217  0.351
2014 Mochizuki K, Whittleston CS, Somani S, Kusumaatmaja H, Wales DJ. A conformational factorisation approach for estimating the binding free energies of macromolecules. Physical Chemistry Chemical Physics : Pccp. 16: 2842-53. PMID 24213246 DOI: 10.1039/C3Cp53537A  0.359
2013 Somani S, Wales DJ. Energy landscapes and global thermodynamics for alanine peptides. The Journal of Chemical Physics. 139: 121909. PMID 24089721 DOI: 10.1063/1.4813627  0.386
2011 Somani S, Gilson MK. Accelerated convergence of molecular free energy via superposition approximation-based reference states. The Journal of Chemical Physics. 134: 134107. PMID 21476743 DOI: 10.1063/1.3571441  0.516
2009 Killian BJ, Kravitz JY, Somani S, Dasgupta P, Pang YP, Gilson MK. Configurational entropy in protein-peptide binding: computational study of Tsg101 ubiquitin E2 variant domain with an HIV-derived PTAP nonapeptide. Journal of Molecular Biology. 389: 315-35. PMID 19362095 DOI: 10.1016/J.Jmb.2009.04.003  0.49
2009 Somani S, Killian BJ, Gilson MK. Sampling conformations in high dimensions using low-dimensional distribution functions. The Journal of Chemical Physics. 130: 134102. PMID 19355712 DOI: 10.1063/1.3088434  0.494
2005 Dhar PK, Meng TC, Somani S, Ye L, Sakharkar K, Krishnan A, Ridwan AB, Wah SH, Chitre M, Hao Z. Grid cellware: the first grid-enabled tool for modelling and simulating cellular processes. Bioinformatics (Oxford, England). 21: 1284-7. PMID 15546936 DOI: 10.1093/Bioinformatics/Bti143  0.306
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