Lapelosa, Mauro
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3

Free Energy of Binding and Mechanism of Interaction for the..:

Lapelosa, Mauro
Journal of Chemical Theory and Computation.  13 (2017)  9 - p. 4514-4523 , 2017
 
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6

Full Kinetics of CO Entry, Internal Diffusion, and Exit in ..:

Yu, Tang-Qing ; Lapelosa, Mauro ; Vanden-Eijnden, Eric.
Journal of the American Chemical Society.  137 (2015)  8 - p. 3041-3050 , 2015
 
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7

Molecular Simulations of the Pairwise Interaction of Monocl..:

Lapelosa, Mauro ; Patapoff, Thomas W. ; Zarraga, Isidro E.
The Journal of Physical Chemistry B.  118 (2014)  46 - p. 13132-13141 , 2014
 
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10

A Computational Study of Water and CO Migration Sites and C..:

Lapelosa, Mauro ; Abrams, Cameron F.
Journal of Chemical Theory and Computation.  9 (2013)  2 - p. 1265-1271 , 2013
 
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11

Transition-path theory calculations on non-uniform meshes i..:

Lapelosa, Mauro ; Abrams, Cameron F.
Computer Physics Communications.  184 (2013)  10 - p. 2310-2315 , 2013
 
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13

Conformational Transitions and Convergence of Absolute Bind..:

Lapelosa, Mauro ; Gallicchio, Emilio ; Levy, Ronald M.
Journal of Chemical Theory and Computation.  8 (2011)  1 - p. 47-60 , 2011
 
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15

Binding Energy Distribution Analysis Method (BEDAM) for Est..:

Gallicchio, Emilio ; Lapelosa, Mauro ; Levy, Ronald M.
Journal of Chemical Theory and Computation.  6 (2010)  9 - p. 2961-2977 , 2010
 
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