Author

Romelia Salomón–Ferrer

Observed names: Romelia Salomn-Ferrer, Romelia Salomon, Romelia Salomon Ferrer, Romelia Salomon-Ferrer, Romelia Salomon-Ferrrer, Romelia Salomon-ferrer, Romelia Salomon‐Ferrer, Romelia Salomón-Ferrer, Romelia Salomón‐Ferrer, Salomon-Ferrer, Romelia, Salomon-Ferrrer, Romelia

Institution: SandboxAQ

Observed institutions: University of North Carolina at Chapel Hill, California Institute of Technology, City Of Hope National Medical Center, Lawrence Berkeley National Laboratory, Pfizer (United States), San Diego Supercomputer Center, University of California San Diego, SandboxAQ, Beckman Research Institute, University of California, Berkeley

ORCID: 0009-0009-8157-4068

Observed ORCID: 0009-0009-8157-4068

OpenAlex ID: A5088515526

Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 2. Explicit Solvent Particle Mesh Ewald

2013 · Romelia Salomon-Ferrer, Andreas W. Götz, et al. · Journal of Chemical Theory and Computation · 3,428

An overview of the Amber biomolecular simulation package

2012 · Romelia Salomon‐Ferrer, David A. Case, et al. · Wiley Interdisciplinary Reviews Computational Molecular Science · 2,710

Routine Access to Millisecond Time Scale Events with Accelerated Molecular Dynamics

2012 · Levi C.T. Pierce, Romelia Salomon-Ferrer, et al. · Journal of Chemical Theory and Computation · 528

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Recent Developments in Amber Biomolecular Simulations

2025 · David A. Case, David S. Cerutti, et al. · Journal of Chemical Information and Modeling · 304

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Dynamics and dissipation in enzyme catalysis

2011 · Nicholas Boekelheide, Romelia Salomón-Ferrer, et al. · Proceedings of the National Academy of Sciences · 162

Solvation thermodynamic mapping of molecular surfaces in AmberTools: GIST

2016 · Steven Ramsey, Crystal Nguyen, et al. · Journal of Computational Chemistry · 125

Discovery of the Potent and Selective M1 PAM-AgonistN-[(3R,4S)-3-Hydroxytetrahydro-2H-pyran-4-yl]-5-methyl-4-[4-(1,3-thiazol-4-yl)benzyl]pyridine-2-carboxamide (PF-06767832): Evaluation of Efficacy and Cholinergic Side Effects

2016 · Jennifer E. Davoren, Che-Wah Lee, et al. · Journal of Medicinal Chemistry · 90

Design and optimization of selective azaindole amide M1 positive allosteric modulators

2015 · Jennifer E. Davoren, Steven V. O’Neil, et al. · Bioorganic & Medicinal Chemistry Letters · 44

Embedded-ring migration on graphene zigzag edge

2008 · Russell Whitesides, Dominik Domin, et al. · Proceedings of the Combustion Institute · 40

Graphene Layer Growth Chemistry: Five- and Six-Member Ring Flip Reaction

2007 · Russell Whitesides, Dominik Domin, et al. · The Journal of Physical Chemistry A · 37

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Conserved Mechanism of Conformational Stability and Dynamics in G-Protein-Coupled Receptors

2016 · Supriyo Bhattacharya, Romelia Salomon-Ferrer, et al. · Journal of Chemical Theory and Computation · 32

Zori 1.0: A parallel quantum Monte Carlo electronic structure package

2005 · Alán Aspuru–Guzik, Romelia Salomón–Ferrer, et al. · Journal of Computational Chemistry · 27

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A sparse algorithm for the evaluation of the local energy in quantum Monte Carlo

2005 · Alán Aspuru‐Guzik, Romelia Salomón‐Ferrer, et al. · Journal of Computational Chemistry · 27

Machine Learning Guided AQFEP: A Fast and Efficient Absolute Free Energy Perturbation Solution for Virtual Screening

2024 · Jordan E. Crivelli-Decker, Zane Beckwith, et al. · Journal of Chemical Theory and Computation · 23

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Grain boundary complexions in silicon carbide

2017 · Felix Cancino‐Trejo, David J. Navarro‐Solis, et al. · Journal of the American Ceramic Society · 18

SAIR: Enabling Deep Learning for Protein-Ligand Interactions with a Synthetic Structural Dataset

2025 · Pablo Lemos, Zane Beckwith, et al. · bioRxiv (Cold Spring Harbor Laboratory) · 17

Grain-boundary type and distribution in silicon carbide coatings and wafers

2017 · Felix Cancino-Trejo, Eddie López-Honorato, et al. · Journal of Nuclear Materials · 16

Quantum Monte Carlo study of first-row atoms using transcorrelated variational Monte Carlo trial functions

2007 · Rajendra Prasad, Naoto Umezawa, et al. · The Journal of Chemical Physics · 13

Intramolecular Ring-Opening Decomposition of Aryl Azetidines

2021 · Guoyun Bai, Thomas N. O’Connell, et al. · ACS Medicinal Chemistry Letters · 10

GneimoSim: A modular internal coordinates molecular dynamics simulation package

2014 · Adrien B. Larsen, Jeffrey R. Wagner, et al. · Journal of Computational Chemistry · 8

Reagents for electrophilic amination: A quantum Monte Carlo study

2007 · Carlos Amador-Bedolla, Romelia Salomón-Ferrer, et al. · The Journal of Chemical Physics · 8

Discovery of Highly Selective Inhibitors of Microtubule-Associated Serine/Threonine Kinase-like (MASTL)

2024 · Rebecca A. Gallego, Stephanie Scales, et al. · Journal of Medicinal Chemistry · 6

Creating a GUI for Zori, a Quantum Monte Carlo Program

2008 · Roberto Olivares-Amaya, Romelia Salomn-Ferrer, et al. · Computing in Science & Engineering · 6

Some recent developments in quantum Monte Carlo for electronic structure: Methods and application to a bio system

2006 · William A. Lester, Romelia Salomon-Ferrer · Journal of Molecular Structure THEOCHEM · 6

Overcoming potential energy distortions in constrained internal coordinate molecular dynamics simulations

2016 · Saugat Kandel, Romelia Salomon-Ferrer, et al. · The Journal of Chemical Physics · 5

Works count: 38

Citation count: 7,695

H-index: 16

I10-index: 19