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Curriculum vitae - Anupam Anand Ojha
======

# Education
## Education
<hr style="height: 4px; border: none; background-color: black;">

## Doctor of Philosophy in Chemistry
### Doctor of Philosophy in Chemistry
**University of California, San Diego**
*September 2019 - June 2024*

### Awards and Fellowships
#### Awards and Fellowships
- **2024** Merck Research Award for Underrepresented Chemists of Color
- **2023** Merkin Graduate Fellowship
- **2023** Teddy Traylor Award
- **2022** Distinguished Graduate Student Fellowship
- **2021** Bonnie Reiss Carbon Neutrality Student Fellowship
- **2021** Friends of the International Center Fellowship

## BS-MS Dual Degree
### BS-MS Dual Degree
**Indian Institute of Science Education and Research (IISER), Thiruvananthapuram**
*August 2012 – June 2017*

### Fellowships
#### Fellowships
- **2012-2017** Innovation in Science Pursuit for Inspired Research (INSPIRE) Fellowship
- **2017** Swiss Government Excellence Scholarship

Skills
======
## Skills
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* Programming: Python, MATLAB, R, MATHEMATICA, LATEX, AWK
* Software Proficiency: Amber, MOE, CHARMM, NAMD, ORCA, MOLPRO, VASP, Quantum ESPRESSO, Gaussian, RDKit, OpenEye, MOLDEN, COMSOL, VESTA, PyMOL, Chemcraft, Schrodinger, VCell, MCell, BrownDye, VMD, APBS, Avogadro, Gnuplot, RStudio, Jupyter, Spyder, Tableau, GitHub, cryoDRGN, RELION, cryoSPARC, OpenMM, AutoDock Vina, Q-Chem, rDock
* AI/ML Technologies: PyTorch, TensorFlow, Keras, scikit-learn

# Industry Work Experience
## Industry Work Experience
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## 1. Multiscale Modeling Scientist Intern
### i. Multiscale Modeling Scientist Intern
**Genentech, Inc., San Francisco, CA, USA**
*June 2024 - September 2024*

- Perform multi-scale molecular dynamics simulations for protein-protein and protein-ligand interactions, including large and conformational transitions.
- Build computational workflow to accelerate MD simulations using enhanced and adaptive sampling techniques.

## 2. Computer-Aided Drug Design Intern
### ii. Computer-Aided Drug Design Intern
**Janssen Pharmaceutical Companies of Johnson and Johnson, La Jolla, CA, USA**
*June 2023 - August 2023*

- Employed MSM, deep learning, and enhanced sampling methods to determine cellular permeability and rank ordering of protein degraders.
- Developed an end-to-end Python-based workflow for blind cellular permeability prediction of beyond rule-of-five protein degraders.

## 3. Research and Early Development Intern
### iii. Research and Early Development Intern
**Genentech, Inc., San Francisco, CA, USA**
*June 2022 - September 2022*

- Performed enhanced MD simulations and MSM analysis on protein degraders to calculate transition rates between metastable states.
- Developed an end-to-end Python framework to generate customizable force field parameters for protein degraders.

# Academic Research Experience
## Academic Research Experience
<hr style="height: 4px; border: none; background-color: black;">

## 1. Merkin Graduate Fellow
### i. Merkin Graduate Fellow
**Institute of Physics, University of Freiburg, Freiburg im Breisgau, Germany**
*April 2024 - June 2024*
- Multiscale milestoning simulation approach with the dissipation-corrected targeted MD to estimate drug-target residence times for JAK-inhibitor complexes.

## 2. Visiting Researcher
### ii. Visiting Researcher
**Center for Computational Biology, Flatiron Institute, NY, USA**
*January 2024 - March 2024*
- Leveraged cryo-EM image analysis and molecular simulations to investigate dynamic structural transformations in biological molecules.
- Developed integrative cryo-EM methodologies (ManifoldEM), incorporating deep learning and enhanced molecular simulations to formulate iterative dynamic workflows.

## 3. Graduate Research Assistant
### iii. Graduate Research Assistant
**Department of Chemistry and Biochemistry, UC San Diego, San Diego, CA, USA**
*November 2019 - June 2024*
- Published/submitted 11 research publications since 2020, with 7 first-author publications showcasing distinctive research understanding and scientific writing capabilities.
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- Employed a two-phase approach with long-scale Gaussian-accelerated molecular dynamics (GaMD) and weighted ensemble (WE) simulations to investigate the allosteric and dynamical effects of 5 disease-associated single-point LRRK2 mutations, providing insights for therapeutic interventions.
- Employed long-scale weighted ensemble (WE) simulations on SARS-CoV-2 spike protein to identify stabilizing mutations providing a more stable and immunogenic S2 construct.

## 4. Research Assistant
### iv. Research Assistant
**Centre for Nano and Material Science, Jain University, Bangalore, KA, India**
*September 2018 - July 2019*
- Conducted ab-initio electronic structure calculations (DFT and HF) in ORCA software of a newly synthesized colorimetric chemosensor to determine selective recognition of copper against 10 other ions.

## 5. Research Assistant
### v. Research Assistant
**Department of Chemistry, ETH Zürich, Zürich, Switzerland**
*August 2017 - August 2018*
- Developed an end-to-end Python-based workflow to calculate concerted hydrogen transfer rates within water clusters of sizes 3-10 using ring-polymer instanton theory.

## 6. Master’s Research Project
### vi. Master’s Research Project
**Department of Chemistry, IISER Thiruvananthapuram, KL, India**
*August 2016 - April 2017*
- Employed ab-initio electronic structure calculations in the Gaussian software to quantify binding free energies and rank order a series of 20 analytes interacting with metal-organic frameworks (MOFs) to describe selective sensing of amines.
- Employed ab-initio electronic structure calculations in the VASP software to calculate interaction energies of a series of glyphosates with Zr-based metal-organic frameworks.

## 7. Summer Research Intern
### vii. Summer Research Intern
**Center for Multidimensional Carbon Materials, Institute for Basic Science, Ulsan, South Korea**
*May 2016 - July 2016*
- Performed ab-initio electronic structure calculations with hybrid functionals in Quantum ESPRESSO engine to calculate hydrogen diffusion rates in noble metal surfaces.
- Performed molecular dynamics and surface simulations to calculate the adsorption energies of alkanes onto noble metal surfaces.

## 8. Summer Research Intern
### viii. Summer Research Intern
**Department of Chemistry, IIT Kharagpur, WB, India**
*May 2015 - July 2015*
- Conducted hybrid QM/MM enhanced molecular dynamics studies using NAMD simulation engine, elucidating substrate binding and mechanism of action of dapE-encoded N-succinyl-L, L- Diaminopimelic Acid Desuccinylase with 5 transition metal centers.

## 9. Summer Research Intern
### ix. Summer Research Intern
**Department of Chemistry, IACS, Kolkata, WB, India**
*May 2014 - July 2014*
- Employed ab-initio electronic structure calculations (DFT and HF) in Gaussian to elucidate quantum tunneling phenomena and reactivity in a series of N-heterocyclic carbenes.

## 10. Summer Research Intern
### x. Summer Research Intern
**Department of Chemistry, IACS, Kolkata, WB, India**
*May 2013 - July 2013*
- Employed quantum mechanical calculations in the Gaussian software to quantify interactions of cyclooctatetraene and related molecules on different noble metal surfaces.

## Fellowships and Awards
<hr style="height: 4px; border: none; background-color: black;">


# Fellowships and Awards

### 1. Merck Research Award for Underrepresented Chemists of Color (2024)
### i. Merck Research Award for Underrepresented Chemists of Color (2024)
- This award recognizes significant contributions to chemical sciences and commitment to diversity in the field.

### 2. Merkin Graduate Fellowship, UC San Diego (2023)
### ii. Merkin Graduate Fellowship, UC San Diego (2023)
- $50,000 fellowship recognizing outstanding research excellence and financial support for conducting translational medicine research abroad and building international collaborations.

### 3. Teddy Traylor Award, UC San Diego (2023)
### iii. Teddy Traylor Award, UC San Diego (2023)
- $3,000 fellowship recognizing outstanding research excellence and financial support to attend scholarly conferences and meetings.

### 4. Distinguished Graduate Student Fellowship (2022)
### iv. Distinguished Graduate Student Fellowship (2022)
- $17,000 fellowship acknowledging exceptional research, providing comprehensive financial support for university fees and a research travel grant.

### 5. Bonnie Reiss Carbon Neutrality Student Fellowship (2021)
### v. Bonnie Reiss Carbon Neutrality Student Fellowship (2021)
- $4,000 fellowship for contributing to the university goal of achieving zero net greenhouse gas emissions by 2025.

### 6. Friends of the International Center Fellowship (2021)
### vi. Friends of the International Center Fellowship (2021)
- $2,000 fellowship for outstanding graduate students pursuing international education, fostering friendship and cooperation within the global community.

### 7. Molecular Sciences Software Institute 2021-A "SEED" Software Fellowship (2021)
### vii. Molecular Sciences Software Institute 2021-A "SEED" Software Fellowship (2021)
- $42,057 fellowship to outstanding software scientists in biomolecular and macromolecular simulation, quantum chemistry and materials science.

### 8. Swiss Government Excellence Scholarship (2017)
### viii. Swiss Government Excellence Scholarship (2017)
- $26,317 fellowship from Govt. of Switzerland for outstanding researchers to conduct one-year research at ETH Zurich.

### 9. Innovation in Science Pursuit for Inspired Research (INSPIRE) Fellowship (2012-2017)
### ix. Innovation in Science Pursuit for Inspired Research (INSPIRE) Fellowship (2012-2017)
- $5,000 fellowship from Govt. of India for outstanding undergraduate students for five years.


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{% endfor %}</ul>

# Positions of Responsibilities
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### 1. November 2022 – Present: Reviewer for the Journal of Biomolecular Structure and Dynamics
### i. November 2022 – Present: Reviewer for the Journal of Biomolecular Structure and Dynamics
Reviewer for the Journal of Biomolecular Structure and Dynamics.

### 2. July 2023 - June 2024: UC San Diego Chemistry International Friendship Group (CIFG) representative
### ii. July 2023 - June 2024: UC San Diego Chemistry International Friendship Group (CIFG) representative
Contributing to a community of international graduate students in fostering camaraderie and support.

### 3. July 2023 - June 2024: UC San Diego Chemistry Graduate Student Council (CGSC) representative
### iii. July 2023 - June 2024: UC San Diego Chemistry Graduate Student Council (CGSC) representative
Advocating for graduate students through engagement in department meetings, seminar organization, and social events.

### 4. September 2019 - May 2020: UC San Diego Chemistry Graduate Student Council (CGSC) representative
### iv. September 2019 - May 2020: UC San Diego Chemistry Graduate Student Council (CGSC) representative
Advocating for graduate students through engagement in department meetings, seminar organization, and social events.

### 5. January 2023 - April 2023: UC San Diego EXperiential Projects for Accelerated Networking and Development (EXPAND) mentor
### v. January 2023 - April 2023: UC San Diego EXperiential Projects for Accelerated Networking and Development (EXPAND) mentor
Mentor for underrepresented undergraduate students to work closely towards a research project.

### 6. September 2021 - May 2022: Graduate Student Representative at UC San Diego Senate for Academic Freedom
### vi. September 2021 - May 2022: Graduate Student Representative at UC San Diego Senate for Academic Freedom
Actively contributing to a committee tasked with examining and addressing factors impacting the academic freedom of university members.

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