Lara A. Patel

Electrical conductivity, ion pairing, and ion self-diffusion in aqueous NaCl solutions at elevated temperatures and pressures

Tae Jun Yoon, Lara A. Patel, Matthew Vigil et al. · The Journal of Chemical Physics · 2019 · 45 citations · Full text

Natural Sciences, Biophysics, Chemistry +17

Exploration of Cryptic Pockets Using Enhanced Sampling Along Normal Modes: A Case Study of KRAS ^G12D

Neha Vithani, She Zhang, Jeffrey P. Thompson et al. · Journal of Chemical Information and Modeling · 2024 · 24 citations · Full text

Pharmacy, Medicinal Chemistry, Pharmacology +17

Thermodynamics, dynamics, and structure of supercritical water at extreme conditions

Tae Jun Yoon, Lara A. Patel, Taeho Ju et al. · Physical Chemistry Chemical Physics · 2020 · 22 citations · Full text

Natural Sciences, Chemistry, Physics +16

Asynchronous Reciprocal Coupling of Martini 2.2 Coarse-Grained and CHARMM36 All-Atom Simulations in an Automated Multiscale Framework

César A. López, Xiaohua Zhang, Fikret Aydin et al. · Journal of Chemical Theory and Computation · 2022 · 20 citations · Full text

Natural Sciences, Biophysics, Chemistry +17

Extracting Aggregation Free Energies of Mixed Clusters from Simulations of Small Systems: Application to Ionic Surfactant Micelles

Xiaolei Zhang, Lara A. Patel, Olivia Beckwith et al. · Journal of Chemical Theory and Computation · 2017 · 19 citations

Natural Sciences, Biophysics, Chemistry +15