Personal information

molecular dynamics, membrane proteins, drug discovery, free energy, biophysics, computational chemistry, biological membranes
India, United Kingdom, United States

Biography

I develop and use classical mechanical simulation methods to study the kinetics and thermodynamics of complex biological processes. I am specifically interested in performing all-atom simulations that can reach timescales of milliseconds and longer, with the aim to bridge gap between theory and experiments. As these timescales are far beyond the reach of the fastest supercomputers, my work entails the use of variety enhanced sampling algorithms to understand the dynamics of biomedically relevant biomolecules.

Activities

Employment (5)

Loxo Oncology at Lilly (United States): Boulder, Colorado, US

2021-06-28 to present | Scientist (Computational Chemistry)
Employment
Source: Self-asserted source
Shashank Pant

University of Illinois Urbana-Champaign: Urbana, IL, US

2016-08-10 to 2021-05-15 | Graduate Student (Center for Biophysics and Computational Biology)
Employment
Source: Self-asserted source
Shashank Pant

Indian Social Institute: Bangalore, Karnataka, IN

2015-06-25 to 2016-07-31 | Research Assistant (Molecular Biophysics Unit)
Employment
Source: Self-asserted source
Shashank Pant

University of Manchester: Manchester, Greater Manchester, GB

2014-05-25 to 2014-07-31 | Visiting Summer Student (Chemistry )
Employment
Source: Self-asserted source
Shashank Pant

University of Texas Medical Branch School of Medicine: Galveston, TX, US

2013-05-25 to 2013-07-31 | Visiting Summer Student (Structural Biology and Molecular Biophysics)
Employment
Source: Self-asserted source
Shashank Pant

Education and qualifications (2)

University of Illinois Urbana-Champaign: Urbana, IL, US

2016-08-10 to 2021-05-15 | Graduate Student (Center for biophysics and quantitative biology)
Qualification
Source: Self-asserted source
Shashank Pant

Indian Institute of Science Education and Research Kolkata: Kolkata, West Bengal, IN

2010-08-08 to 2015-05-31 | Master Student (Chemistry)
Qualification
Source: Self-asserted source
Shashank Pant

Professional activities (2)

Biophysical Society: Rockville, Maryland, US

2017-02-01 to 2021-10-01
Membership
Source: Self-asserted source
Shashank Pant

Beckman Institute for Advanced Science and Technology: Urbana, IL, US

2019-08-15 | Beckman Institute Graduate Fellow
Distinction
Source: Self-asserted source
Shashank Pant

Works (15)

Targeting lipid–protein interaction to treat Syk-mediated acute myeloid leukemia

Nature Chemical Biology
2022-10-13 | Journal article | Author
Part of ISSN: 1552-4450
Part of ISSN: 1552-4469
Contributors: Indira Singaram; Ashutosh Sharma; Shashank Pant; Muyun Lihan; Mi-Jeong Park; Melissa Pergande; Pawanthi Buwaneka; Yusi Hu; Nadim Mahmud; You-Me Kim et al.
Source: Self-asserted source
Shashank Pant

Ataxia-linked SLC1A3 mutations alter EAAT1 chloride channel activity and glial regulation of CNS function

Journal of Clinical Investigation
2022-04-01 | Journal article | Author
Part of ISSN: 1558-8238
Contributors: Qianyi Wu; Azman Akhter; Shashank Pant; EUNJOO CHO; Jin Xin Zhu; Alastair Garner; Tomoko Ohyama; Emad Tajkhorshid; Donald van Meyel; Renae Ryan
Source: Self-asserted source
Shashank Pant

Identification of structural transitions in bacterial fatty acid binding proteins that permit ligand entry and exit at membranes

Journal of Biological Chemistry
2022-03 | Journal article | Author
Part of ISSN: 0021-9258
Contributors: Jessica Gullett; Maxime Cuypers; Grace Royappa; Shashank Pant; Subramanian Chitra; Emad Tajkhorshid; Charles Rock; Stephen White
Source: Self-asserted source
Shashank Pant

Microscopic Characterization of the Chloride Permeation Pathway in the Human Excitatory Amino Acid Transporter 1 (EAAT1)

ACS Chemical Neuroscience
2022-03-16 | Journal article | Author
Part of ISSN: 1948-7193
Part of ISSN: 1948-7193
Contributors: Shashank Pant; Qianyi Wu; Renae Ryan; Emad Tajkhorshid
Source: Self-asserted source
Shashank Pant

A Companion Guide to the String Method with Swarms of Trajectories: Characterization, Performance, and Pitfalls

Journal of Chemical Theory and Computation
2022-03-08 | Journal article | Author
Part of ISSN: 1549-9618
Part of ISSN: 1549-9626
Contributors: Haochuan Chen; Dylan Ogden; Shashank Pant; Wensheng Cai; Emad Tajkhorshid; Mahmoud Moradi; Benoit Roux; Christophe Chipot
Source: Self-asserted source
Shashank Pant

Active participation of membrane lipids in inhibition of multidrug transporter P-glycoprotein

Chemical Science
2021 | Journal article | Author
Part of ISSN: 2041-6520
Part of ISSN: 2041-6539
Contributors: Karan Kapoor; Shashank Pant; Emad Tajkhorshid
Source: Self-asserted source
Shashank Pant

PIP2-dependent coupling of voltage sensor and pore domains in Kv7.2 channel

Communications Biology
2021-12 | Journal article | Author
Part of ISSN: 2399-3642
Contributors: Shashank Pant; Jiaren Zhang; Eung Chang Kim; Kin Lam; Hee Jung Chung; Emad Tajkhorshid
Source: Self-asserted source
Shashank Pant

Glutamate transporters have a chloride channel with two hydrophobic gates

Nature
2021-08-17 | Journal article
Source: Self-asserted source
Shashank Pant

Confronting pitfalls of AI-augmented molecular dynamics using statistical physics

Journal of Chemical Physics
2020-12-21 | Journal article
Part of ISSN: 0021-9606
Part of ISSN: 1089-7690
Source: Self-asserted source
Shashank Pant
grade
Preferred source (of 2)‎

Hydrogen-deuterium exchange mass spectrometry captures distinct dynamics upon substrate and inhibitor binding to a transporter.

Nature communications
2020-12-02 | Journal article
Source: Self-asserted source
Shashank Pant

Membrane surface recognition by the ASAP1 PH domain and consequences for interactions with the small GTPase Arf1.

Science advances
2020-09-30 | Journal article
Source: Self-asserted source
Shashank Pant

Identifying mutation hotspots reveals pathogenetic mechanisms of KCNQ2 epileptic encephalopathy.

Scientific reports
2020-03-16 | Journal article
Source: Self-asserted source
Shashank Pant
grade
Preferred source (of 2)‎

Computational Dissection of Membrane Transport at a Microscopic Level.

Trends in biochemical sciences
2019-12-05 | Journal article
Source: Self-asserted source
Shashank Pant
grade
Preferred source (of 2)‎

Microscopic Characterization of GRP1 PH Domain Interaction with Anionic Membranes.

Journal of computational chemistry
2019-11-25 | Journal article
Source: Self-asserted source
Shashank Pant

Characterization of Lipid-Protein Interactions and Lipid-Mediated Modulation of Membrane Protein Function through Molecular Simulation.

Chemical reviews
2019-04-12 | Journal article
Source: Self-asserted source
Shashank Pant

Peer review (4 reviews for 3 publications/grants)

Review activity for eLife (1)
Review activity for Journal of chemical theory and computation : (2)
Review activity for PLoS computational biology. (1)