Welcome to the MacKerell Group Github. If you are a collaborator, please browse through and feel free to reach out to Alex or Anmol for any access to repositories.
Home Website: https://mackerell.umaryland.edu
Recent Papers: “Deep Neural Network Model to Predict the Electrostatic Parameters in the Polarizable Classical Drude Oscillator Force Field” https://pubs.acs.org/doi/10.1021/acs.jctc.1c01166
“SILCS-RNA: Toward a Structure-Based Drug Design Approach for Targeting RNAs with Small Molecules” https://pubs.acs.org/doi/10.1021/acs.jctc.2c00381
“In silico identification of a β2-adrenoceptor allosteric site that selectively augments canonical β2AR-Gs signaling and function” https://www.pnas.org/doi/10.1073/pnas.2214024119
| Name | Title | Degree | |
|---|---|---|---|
| Dr. Alexander MacKerell Jr. | [email protected] | Professor | Ph.D. Biochemistry, Rutgers University |
| Dr. Wenbo Yu | [email protected] | Research Assistant Professor | Ph.D. Condensed Matter Physics, Hefei National Laboratory for Physical Sciences at the Microscale |
| Dr. Anmol Kumar | [email protected] | Research Associate Faculty | Ph.D. Theoretical and Computational Chemistry, IIT Kanpur, India |
| Dr. Mingtian Zhao | [email protected] | Post-Doc | Ph.D. Condensed Matter Physics, Nankai University |
| Dr. Anastasia Croitoru | [email protected] | Post-Doc | Ph.D. Development of Force Field Methods, CNRS - Ecole Polytechnique |
| Dr. Yiling Nan | [email protected] | Post-Doc | Ph.D. Civil and Environmental Engineering, University of Alberta |
| Dr. Prabin Baral | [email protected] | Post-Doc | Ph.D. Computational Biophysics, Florida International University |
| Dr. Erik Nordquist | [email protected] | Post-Doc | Ph.D. Computational Biophysics, University of Massachusetts Amherst |
| Dr. Suliman Sharif | [email protected] | Collaborator | Ph.D. Pharmaceutical Sciences |
| Jihyeon Lee | [email protected] | Graduate Student | M.Sc. Chemistry |
