Alex M. Maldonado - Publications, H-index & Citations

Alex M. Maldonado

pennsylvania commonwealth system of higher education (pcshe)

8H指数

32论文数

234被引数

收录论文 8

发表时间

MolModa: accessible and secure molecular docking in a web browser

NUCLEIC ACIDS RESEARCH

IF13.1

2024-05-23

OAAI

Kochnev, Yuri; Ahmed, Mayar; Maldonado, Alex M.; Durrant, Jacob D.

Modeling molecular ensembles with gradient-domain machine learning force fields

DIGITAL DISCOVERY

IF5.6

2023-01-01

OAAI

Maldonado, Alex M.; Poltavsky, Igor; Vassilev-Galindo, Valentin; Tkatchenko, Alexandre; Keith, John A.

Quantum alchemy beyond singlets: Bonding in diatomic molecules with hydrogen

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2022-05-24

OAAI

Eikey, Emily A.; Maldonado, Alex M.; Griego, Charles D.; von Rudorff, Guido Falk; Keith, John A.

Evaluating quantum alchemy of atoms with thermodynamic cycles: Beyond ground electronic states

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2022-02-11

OAAI

Eikey, Emily A.; Maldonado, Alex M.; Griego, Charles D.; von Rudorff, Guido Falk; Keith, John A.

Computationally Guided Searches for Efficient Catalysts through Chemical/Materials Space: Progress and Outlook

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2021-02-19

PREAI

Griego, Charles D.; Maldonado, Alex M.; Zhao, Lingyan; Zulueta, Barbaro; Gentry, Brian M.; Lipsman, Eli; Choi, Tae Hoon; Keith, John A.

Quantifying Uncertainties in Solvation Procedures for Modeling Aqueous Phase Reaction Mechanisms

JOURNAL OF PHYSICAL CHEMISTRY A

IF2.8

2021-01-04

OAAI

Maldonado, Alex M.; Hagiwara, Satoshi; Choi, Tae Hoon; Eckert, Frank; Schwarz, Kathleen; Sundararaman, Ravishankar; Otani, Minoru; Keith, John A.

First-principles modeling of chemistry in mixed solvents: Where to go from here?

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2020-04-01

OAAI

Maldonado, Alex M.; Basdogan, Yasemin; Berryman, Joshua T.; Rempe, Susan B.; Keith, John A.

Advances and challenges in modeling solvated reaction mechanisms for renewable fuels and chemicals

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE

IF27

2019-10-17

PREAI

Basdogan, Yasemin; Maldonado, Alex M.; Keith, John A.

研究方向