The ClCFF/PI+ MGA program package efficiency and versatility in molecular mechanics. - Arieh Warshel (Comput. Chem., 1977)

Microscopic and semimicroscopic calculations of electrostatic energies in proteins by the POLARIS and ENZYMIX programs. - Frederick S. Lee; Zhen Tao Chu; Arieh Warshel (J. Comput. Chem., 1993)

Constraining the electron densities in DFT method as an effective way for ab initio studies of metal-catalyzed reactions. - Gongyi Hong; Marek Strajbl; Tomasz A. Wesolowski; Arieh Warshel (J. Comput. Chem., 2000)

Q-Chem 2.0: a high-performance ab initio electronic structure program package. - Jing Kong; Christopher A. White; Anna I. Krylov; C. David Sherrill; Ross D. Adamson; Thomas R. Furlani; Michael S. Lee; Aaron M. Lee; Steven R. Gwaltney; Terry R. Adams; Christian Ochsenfeld; Andrew T. B. Gilbert; et al. (J. Comput. Chem., 2000)

Effective way of modeling chemical catalysis: Empirical valence bond picture of role of solvent and catalyst in alkylation reactions. - Jordi Villá; Jörg Bentzien; Àngels González-Lafont; José M. Lluch; Juan Bertrán; Arieh Warshel (J. Comput. Chem., 2000)

Demonstrating aspects of multiscale modeling by studying the permeation pathway of the human ZnT2 zinc transporter. - Yarden Golan; Raphael Alhadeff; Fabian Glaser; Assaf Ganoth; Arieh Warshel; Yehuda G. Assaraf (PLoS Comput. Biol., 2018)

Correction: Demonstrating aspects of multiscale modeling by studying the permeation pathway of the human ZnT2 zinc transporter. - Yarden Golan; Raphael Alhadeff; Fabian Glaser; Assaf Ganoth; Arieh Warshel; Yehuda G. Assaraf (PLoS Comput. Biol., 2019)

ZnT2 is an electroneutral proton-coupled vesicular antiporter displaying an apparent stoichiometry of two protons per zinc ion. - Yarden Golan; Raphael Alhadeff; Arieh Warshel; Yehuda G. Assaraf (PLoS Comput. Biol., 2019)

From Kibbutz Fishponds to The Nobel Prize - Taking Molecular Functions into Cyberspace - Arieh Warshel (From Kibbutz Fishponds to The Nobel Prize, 2021)

Efficient Characterization of GPCRs Allosteric Modulation: Application to the Rational Design of De Novo S1PR1 Allosteric Modulators. - Alejandro Cruz; Arieh Warshel (J. Chem. Inf. Model., 2025)