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2 articles related to "Potential Energy Function"

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Articles

Review

Published on 08 Jun 2022

Enhanced-Sampling Simulations for the Estimation of Ligand Binding Kinetics: Current Status and Perspective

in Molecular Recognition

Katya Ahmad
Andrea Rizzi
Riccardo Capelli
Davide Mandelli
Wenping Lyu
Paolo Carloni

Frontiers in Molecular Biosciences

doi 10.3389/fmolb.2022.899805

12,956 views
64 citations

Original Research

Published on 22 May 2019

Full Dimensional Potential Energy Function and Calculation of State-Specific Properties of the CO+N2 Inelastic Processes Within an Open Molecular Science Cloud Perspective

in Chemical Physics and Physical Chemistry

Andrea Lombardi
Fernando Pirani
Massimiliano Bartolomei
Cecilia Coletti
Antonio Laganà

Frontiers in Chemistry

doi 10.3389/fchem.2019.00309

28,127 views
21 citations