Shashank Pant
Shashank Pant
Scientist, Computational Chemistry
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Characterization of lipid–protein interactions and lipid-mediated modulation of membrane protein function through molecular simulation
MP Muller, T Jiang, C Sun, M Lihan, S Pant, P Mahinthichaichan, A Trifan, ...
Chemical reviews 119 (9), 6086-6161, 2019
Controlled synthesis of amino acid-based pH-responsive chiral polymers and self-assembly of their block copolymers
K Bauri, SG Roy, S Pant, P De
Langmuir 29 (8), 2764-2774, 2013
Dual pH and temperature responsive helical copolymer libraries with pendant chiral leucine moieties
K Bauri, S Pant, SG Roy, P De
Polymer Chemistry 4 (14), 4052-4060, 2013
Identifying mutation hotspots reveals pathogenetic mechanisms of KCNQ2 epileptic encephalopathy
J Zhang, EC Kim, C Chen, E Procko, S Pant, K Lam, J Patel, R Choi, ...
Scientific reports 10 (1), 4756, 2020
Glutamate transporters have a chloride channel with two hydrophobic gates
I Chen, S Pant, Q Wu, RJ Cater, M Sobti, RJ Vandenberg, AG Stewart, ...
Nature 591 (7849), 327-331, 2021
Hydrogen-deuterium exchange mass spectrometry captures distinct dynamics upon substrate and inhibitor binding to a transporter
R Jia, C Martens, M Shekhar, S Pant, GA Pellowe, AM Lau, HE Findlay, ...
Nature communications 11 (1), 6162, 2020
Accelerating all-atom simulations and gaining mechanistic understanding of biophysical systems through state predictive information bottleneck
S Mehdi, D Wang, S Pant, P Tiwary
Journal of chemical theory and computation 18 (5), 3231-3238, 2022
Computational dissection of membrane transport at a microscopic level
T Jiang, PC Wen, N Trebesch, Z Zhao, S Pant, K Kapoor, M Shekhar, ...
Trends in biochemical sciences 45 (3), 202-216, 2020
Microscopic characterization of GRP1 PH domain interaction with anionic membranes
S Pant, E Tajkhorshid
Journal of computational chemistry 41 (6), 489-499, 2020
Membrane surface recognition by the ASAP1 PH domain and consequences for interactions with the small GTPase Arf1
O Soubias, S Pant, F Heinrich, Y Zhang, NS Roy, J Li, X Jian, ME Yohe, ...
Science Advances 6 (40), eabd1882, 2020
Active participation of membrane lipids in inhibition of multidrug transporter P-glycoprotein
K Kapoor, S Pant, E Tajkhorshid
Chemical science 12 (18), 6293-6306, 2021
Confronting pitfalls of AI-augmented molecular dynamics using statistical physics
S Pant, Z Smith, Y Wang, E Tajkhorshid, P Tiwary
The Journal of Chemical Physics 153 (23), 2020
A companion guide to the string method with swarms of trajectories: Characterization, performance, and pitfalls
H Chen, D Ogden, S Pant, W Cai, E Tajkhorshid, M Moradi, B Roux, ...
Journal of Chemical Theory and Computation 18 (3), 1406-1422, 2022
Ataxia-linked SLC1A3 mutations alter EAAT1 chloride channel activity and glial regulation of CNS function
Q Wu, A Akhter, S Pant, E Cho, JX Zhu, A Garner, T Ohyama, ...
The Journal of Clinical Investigation 132 (7), 2022
Effect of attractive interactions on the water-like anomalies of a core-softened model potential
S Pant, N Gera, Tarun, Choudhury
Journal Of Chemical Physics 139 (2013), 244505, 2013
Targeting lipid–protein interaction to treat Syk-mediated acute myeloid leukemia
I Singaram, A Sharma, S Pant, M Lihan, MJ Park, M Pergande, ...
Nature chemical biology 19 (2), 239-250, 2023
PIP2-dependent coupling of voltage sensor and pore domains in Kv7.2 channel
S Pant, J Zhang, EC Kim, K Lam, HJ Chung, E Tajkhorshid
Communications biology 4 (1), 1189, 2021
Identification of structural transitions in bacterial fatty acid binding proteins that permit ligand entry and exit at membranes
JM Gullett, MG Cuypers, CR Grace, S Pant, C Subramanian, ...
Journal of Biological Chemistry 298 (3), 2022
Cryo‐EM structures of human ABCA7 provide insights into its phospholipid translocation mechanisms
LTM Le, JR Thompson, S Dehghani‐Ghahnaviyeh, S Pant, PX Dang, ...
The EMBO Journal 42 (3), e111065, 2023
Microscopic characterization of the chloride permeation pathway in the human excitatory amino acid transporter 1 (EAAT1)
S Pant, Q Wu, R Ryan, E Tajkhorshid
ACS chemical neuroscience 13 (6), 776-785, 2022
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