G Andrés Cisneros
University of North Texas
H-index: 36
North America-United States
Top articles of G Andrés Cisneros
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Investigation of the stability of D5SIC-DNAM-incorporated DNA duplex in Taq polymerase binary system: a systematic classical MD approach | Physical Chemistry Chemical Physics | Tanay Debnath Andres Cisneros | 2024 |
Computational investigation of cancer-associated mutations on the structural and dynamical behavior of DNA glycosylase enzyme (MUTY) | Biophysical Journal | Upeksha C Dissanayake Carlos H Trasviña-Arenas Sheila S David Gerardo A Cisneros | 2024/2/8 |
Seamless integration of GEM, a density based-force field, for QM/MM simulations via LICHEM, Psi4 and Tinker-HP | Jorge Nochebuena Andrew C Simmonett G Andrés Cisneros | 2024/1/30 | |
Relative cooperativity in neutral and charged molecular clusters using QM/MM calculations | ChemRxiv | Jorge Nochebuena Shubin Liu G Andrés Cisneros | 2023/10/31 |
Impact of an Ionic Liquid Solution on Horseradish Peroxidase Activity | Shubham Chatterjee Jorge Nochebuena G Andrés Cisneros | 2024/1/24 | |
Understanding the Role of Hydrogen Bonds and Other Non-Covalent Interactions in Enzymatic Catalysis | Bulletin of the American Physical Society | G Andrés Cisneros Madison Berger Shubham Chatterjee Jorge Nochebuena | 2024/3/4 |
Rapid, high-capacity adsorption of iodine from aqueous environments with amide functionalized covalent organic frameworks | Chemical Science | Niyati Arora Tanay Debnath Milinda C Senarathna Rebecca M Johnson Isabella G Roske | 2024 |
Effects of the Y432S Cancer-Associated Variant on the Reaction Mechanism of Human DNA Polymerase κ | Yazdan Maghsoud Arkanil Roy Emmett M Leddin G Andrés Cisneros | 2024/2/28 | |
Investigation of dynamical flexibility of D5SIC-DNAM inside DNA duplex in aqueous solution: a systematic classical MD approach | Physical Chemistry Chemical Physics | Tanay Debnath Andres Cisneros | 2024 |
Impact of external factors on enzymatic catalysis: The case of distal mutations and solvent environment | Biophysical Journal | Madison Berger Shubham Chatterjee Jorge Nochebuena Gerardo A Cisneros | 2024/2/8 |
Distal mutations in the β-clamp of DNA polymerase III* disrupt DNA orientation and affect exonuclease activity | Journal of the American Chemical Society | Madison B Berger G Andrés Cisneros | 2023/2/6 |
Unleashing the Potential of 1, 3-Diketone Analogues as Selective LH2 Inhibitors | ACS Medicinal Chemistry Letters | Juhoon Lee Hou-fu Guo Shike Wang Yazdan Maghsoud Erik Antonio Vázquez-Montelongo | 2023/9/22 |
Development of Imidazolium-Based Parameters for AMOEBA-IL | The Journal of Physical Chemistry B | José Enrique Vázquez-Cervantes G Andrés Cisneros | 2023/6/8 |
Computational investigation of a series of small molecules as potential compounds for lysyl hydroxylase-2 (LH2) inhibition | Journal of chemical information and modeling | Yazdan Maghsoud Erik Antonio Vázquez-Montelongo Xudong Yang Chengwen Liu Zhifeng Jing | 2023/1/30 |
Regioselective Direct C− H Bond (Hetero) arylation of Thiazoles Enabled by a Novel Iminopyridine-Based α‐Diimine Nickel (II) Complex Evaluated by DFT Studies. | Phillip Damien E Arche Shubham Chatterjee Md Muktadir Talukder Justin T Miller John Michael O Cue | 2023/5/22 | |
Regioselective Direct C–H Bond Heteroarylation of Thiazoles Enabled by an Iminopyridine-Based α-Diimine Nickel (II) Complex Evaluated by DFT Studies | The Journal of Organic Chemistry | Phillip Damien E Arche Shubham Chatterjee Md Muktadir Talukder Justin T Miller John Michael O Cue | 2023/8/21 |
Cooperativity and Frustration Effects (or Lack Thereof) in Polarizable and Non-polarizable Force Fields | Journal of Chemical Theory and Computation | Jorge Nochebuena Jean-Philip Piquemal Shubin Liu G Andrés Cisneros | 2023 |
Computational characterization of the inhibition mechanism of xanthine oxidoreductase by topiroxostat | ACS catalysis | Yazdan Maghsoud Chao Dong G Andrés Cisneros | 2023/4/18 |
Molecular basis for short-chain thioester hydrolysis by acyl hydrolase domains in trans-acyltransferase polyketide synthases | bioRxiv | Christopher D Fage Munro Passmore Ben P Tatman Helen G Smith Xinyun Jian | 2023 |
Population-based analysis of POT1 variants in a cutaneous melanoma case–control cohort | Journal of medical genetics | Irving Simonin-Wilmer Raul Ossio Emmett M Leddin Mark Harland Karen A Pooley | 2023/7/1 |
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