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Free-Energy Perturbation Calculations of DNA Destabilization by Base Substitutions: The Effect of Neutral Guanine.Thymine, Adenine.Cytosine and Adenine.Difluorotoluene Mismatches

J. Florian, M. Goodman, and A. Warshel. The Journal of Physical Chemistry B, 104 (43): 10092--10099 (November 2000)
DOI: 10.1021/jp001760z

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Arthur Arieh Neubauer

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From Kibbutz Fishponds to The Nobel Prize - Taking Molecular Functions into CyberspaceA. Warshel. WorldScientific, (2021)Correction: Demonstrating aspects of multiscale modeling by studying the permeation pathway of the human ZnT2 zinc transporter.Y. Golan, R. Alhadeff, F. Glaser, A. Ganoth, A. Warshel, and Y. Assaraf. PLoS Comput. Biol., (2019)Effective way of modeling chemical catalysis: Empirical valence bond picture of role of solvent and catalyst in alkylation reactions.J. Villá, J. Bentzien, À. González-Lafont, J. Lluch, J. Bertrán, and A. Warshel. J. Comput. Chem., 21 (8): 607-625 (2000)Q-Chem 2.0: a high-performance ab initio electronic structure program package.J. Kong, C. White, A. Krylov, D. Sherrill, R. Adamson, T. Furlani, M. Lee, A. Lee, S. Gwaltney, T. Adams and 26 other author(s). J. Comput. Chem., 21 (16): 1532-1548 (2000)ZnT2 is an electroneutral proton-coupled vesicular antiporter displaying an apparent stoichiometry of two protons per zinc ion.Y. Golan, R. Alhadeff, A. Warshel, and Y. Assaraf. PLoS Comput. Biol., (2019)Demonstrating aspects of multiscale modeling by studying the permeation pathway of the human ZnT2 zinc transporter.Y. Golan, R. Alhadeff, F. Glaser, A. Ganoth, A. Warshel, and Y. Assaraf. PLoS Comput. Biol., (2018)Computer simulation of protein foldingM. Levitt, and A. Warshel. Nature, (February 1975)The ClCFF/PI+ MGA program package efficiency and versatility in molecular mechanics.A. Warshel. Comput. Chem., 1 (3): 195-202 (1977)Constraining the electron densities in DFT method as an effective way for ab initio studies of metal-catalyzed reactions.G. Hong, M. Strajbl, T. Wesolowski, and A. Warshel. J. Comput. Chem., 21 (16): 1554-1561 (2000)Microscopic and semimicroscopic calculations of electrostatic energies in proteins by the POLARIS and ENZYMIX programs.F. Lee, Z. Chu, and A. Warshel. J. Comput. Chem., 14 (2): 161-185 (1993)

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Arthur Arieh Neubauer

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