Tigran M. Abramyan

发表

Site of Tagging Influences the Ochratoxin Recognition by Peptide NFO4: A Molecular Dynamics Study

Aby A. Thyparambil, A. Guiseppi-Elie, I. Bazin, 2017, J. Chem. Inf. Model..

Application of advanced sampling and analysis methods to predict the structure of adsorbed protein on a material surface.

S. Stuart, R. Latour, Tigran M. Abramyan, 2017, Biointerphases.

Computational studies of molecular mechanisms mediating protein adsorption on material surfaces

Tigran M. Abramyan, 2016 .

Parameterization of an interfacial force field for accurate representation of peptide adsorption free energy on high-density polyethylene.

Aby A. Thyparambil, S. Stuart, J. A. Snyder, 2015, Biointerphases.

Understanding protein-surface interactions at the atomistic level through the synergistic development of experimental and molecular simulation methods

Nadeem A. Vellore, Jeremy A. Yancey, Tugba G. Kucukkal, 2012 .

Synthesis and Antibacterial Evaluation of Cephalosporin Isosteres

J. Aubé, D. Kireev, Tigran M. Abramyan, 2019, Asian Journal of Organic Chemistry.

Cluster analysis of molecular simulation trajectories for systems where both conformation and orientation of the sampled states are important

Steven J. Stuart, Robert A. Latour, Tigran M. Abramyan, 2016, J. Comput. Chem..

Discovery of selective activators of PRC2 mutant EED-I363M

S. Frye, C. Arrowsmith, M. Vedadi, 2019, Scientific Reports.

An atypical heterotrimeric Gα protein has substantially reduced nucleotide binding but retains nucleotide-independent interactions with its cognate RGS protein and Gβγ dimer

Alan M. Jones, A. Tropsha, Tigran M. Abramyan, 2019, Journal of biomolecular structure & dynamics.

A decoy heterotrimeric Gα protein has substantially reduced nucleotide binding but retains nucleotide-independent interactions with its cognate RGS protein and Gβγ dimer

Alan M. Jones, A. Tropsha, Tigran M. Abramyan, 2019 .

A chemical probe targeting the PWWP domain alters NSD2 nucleolar localization

Matthew J. Meiners, J. Greenblatt, J. Min, 2021, Nature Chemical Biology.

Pharmacological targeting of a PWWP domain demonstrates cooperative control of NSD2 localization

Matthew J. Meiners, J. Greenblatt, J. Min, 2021, bioRxiv.

Development of a Tuned Interfacial Force Field Parameter Set for the Simulation of Protein Adsorption to Silica Glass

Jeremy A. Yancey, Robert A Latour, Aby A. Thyparambil, 2012, Biointerphases.

Discovery of a cryptic pocket in the AI-predicted structure of PPM1D phosphatase explains the binding site and potency of its allosteric inhibitors

Saulo H. P. de Oliveira, A. Davtyan, G. Bowman, 2023, bioRxiv.

Cluster analysis of molecular simulation trajectories for systems where both conformation and orientation of the sampled states are important

Aby A. Thyparambil, S. Stuart, J. A. Snyder, 2016, J. Comput. Chem..

Off-Pocket Activity Cliffs: A Puzzling Facet of Molecular Recognition

Tigran M Abramyan, Yi An, Dmitri Kireev, 2019, J. Chem. Inf. Model..

Antimicrobial activity of compounds identified by artificial intelligence discovery engine targeting enzymes involved in Neisseria gonorrhoeae peptidoglycan metabolism

Tigran M. Abramyan, M. Christodoulides, Gwennan Rucinski, 2024, Biological research.

AI is a viable alternative to high throughput screening: a 318-target study

Eva M García-Cuesta, Frederick S. Vizeacoumar, Stephen J. Capuzzi, 2024, Scientific reports.

Discovery of a cryptic pocket in the AI-predicted structure of PPM1D phosphatase explains the binding site and potency of its allosteric inhibitors

Saulo H. P. de Oliveira, A. Davtyan, G. Bowman, 2023, Frontiers in Molecular Biosciences.