Payal Chatterjee

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Yun LuoAssociate ProfessorVerifierad e-postadress på westernu.edu
Alexander MacKerellGrollman Glick Professor of Pharmaceutical Sciences, University of Maryland, BaltimoreVerifierad e-postadress på rx.umaryland.edu
Han ZhangPh.D. Candidate, Lehigh UniversityVerifierad e-postadress på lehigh.edu
jerome lacroixWestern University of Health SciencesVerifierad e-postadress på westernu.edu
Dr. Anmol KumarResearch Associate at University of Maryland BaltimoreVerifierad e-postadress på outerbanks.umaryland.edu
Christian SchröderUniversity of ViennaVerifierad e-postadress på mdy.univie.ac.at
Esther HeidPostdoctoral Fellow, TU WienVerifierad e-postadress på tuwien.ac.at
Jijun Hao, ProfessorWestern University of Health SciencesVerifierad e-postadress på westernu.edu
Michel BaudryWestern University of Health SciencesVerifierad e-postadress på westernu.edu
Wenjuan JiangWestern University of Health SciencesVerifierad e-postadress på westernu.edu
Qinqin FeiThe Ohio State UniversityVerifierad e-postadress på osu.edu
Abhishek A. KognoleScientist, SilcsBio LLCVerifierad e-postadress på silcsbio.com
Sunhwan JoSilcsBio, LLCVerifierad e-postadress på silcsbio.com
Justin LemkulAssociate Professor at Virginia TechVerifierad e-postadress på vt.edu
Jing HuangAssociate Professor, Westlake UniversityVerifierad e-postadress på westlake.edu.cn
Wonpil ImPresidential Endowed Chair and Professor of Biological Sciences, Lehigh UniversityVerifierad e-postadress på lehigh.edu
Sang-Jun ParkLehigh UniversityVerifierad e-postadress på lehigh.edu
Jumin LeeCTO at MolCube Inc.Verifierad e-postadress på molcube.xyz
Jorge E. ContrerasProfessor, UC DavisVerifierad e-postadress på ucdavis.edu
Juan Manuel Valdez CapuccinoPhD studentVerifierad e-postadress på njms.rutgers.edu

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Payal Chatterjee

Principal Scientist, Computational Chemistry, Cogent Biosciences

Verifierad e-postadress på cogentbio.com

Polarizable Force Field Free Energy Perturbation Covalent Drug Design in silico drug design


Titel Sortera efter citat Sortera efter år Sortera efter titel	Citeras av Citeras av	År
Polymodal allosteric regulation of Type 1 Serine/Threonine Kinase Receptors via a conserved electrostatic lock WM Botello-Smith, A Alsamarah, P Chatterjee, C Xie, JJ Lacroix, J Hao, ... PLoS Computational Biology 13 (8), e1005711, 2017	62	2017
Can relative binding free energy predict selectivity of reversible covalent inhibitors? P Chatterjee, WM Botello-Smith, H Zhang, L Qian, A Alsamarah, D Kent, ... Journal of the American Chemical Society 139 (49), 17945-17952, 2017	53	2017
Ranking reversible covalent drugs: from free energy perturbation to fragment docking H Zhang, W Jiang, P Chatterjee, Y Luo Journal of chemical information and modeling 59 (5), 2093-2102, 2019	50	2019
Molecular mechanism of resveratrol’s lipid membrane protection Q Fei, D Kent, WM Botello-Smith, F Nur, S Nur, A Alsamarah, P Chatterjee, ... Scientific reports 8 (1), 1587, 2018	50	2018
CHARMM‐GUI Drude prepper for molecular dynamics simulation using the classical Drude polarizable force field AA Kognole, J Lee, SJ Park, S Jo, P Chatterjee, JA Lemkul, J Huang, ... Journal of computational chemistry 43 (5), 359-375, 2022	34	2022
Toward prediction of electrostatic parameters for force fields that explicitly treat electronic polarization E Heid, M Fleck, P Chatterjee, C Schröder, AD MacKerell Jr Journal of chemical theory and computation 15 (4), 2460-2469, 2019	29	2019
Harnessing deep learning for optimization of lennard-jones parameters for the polarizable classical drude oscillator force field P Chatterjee, MY Sengul, A Kumar, AD MacKerell Jr Journal of chemical theory and computation 18 (4), 2388-2407, 2022	21	2022
Drude polarizable lipid force field with explicit treatment of long-range dispersion: Parametrization and validation for saturated and monounsaturated zwitterionic lipids Y Yu, RM Venable, J Thirman, P Chatterjee, A Kumar, RW Pastor, B Roux, ... Journal of chemical theory and computation 19 (9), 2590-2605, 2023	20	2023
Deep neural network model to predict the electrostatic parameters in the polarizable classical drude oscillator force field A Kumar, P Pandey, P Chatterjee, AD MacKerell Jr Journal of chemical theory and computation 18 (3), 1711-1725, 2022	18	2022
The connexin26 human mutation N14K disrupts cytosolic intersubunit interactions and promotes channel opening JM Valdez Capuccino, P Chatterjee, IE García, WM Botello-Smith, ... Journal of General Physiology 151 (3), 328-341, 2019	18	2019
Effects of bioactive constituents in the Traditional Chinese Medicinal formula Si–Wu–Tang on Nrf2 signaling and neoplastic cellular transformation MM Liu, KM Huang, L Qian, P Chatterjee, S Zhang, R Li, S Zhou, Z Wang, ... Phytomedicine 40, 1-9, 2018	18	2018
Solvation dynamics: improved reproduction of the time-dependent Stokes shift with polarizable empirical force field chromophore models E Heid, S Schmode, P Chatterjee, AD MacKerell, C Schröder Physical Chemistry Chemical Physics 21 (32), 17703-17710, 2019	11	2019
Overlapping structure features selection in linear and non-linear QSAR M Ojha, M Yadav, A Nayarisseri, J Prajapati, N Pandey, P Chatterjee journal of pharmacy research 6 (1), 183-187, 2013	4	2013
Nitro-benzylideneoxymorphone, a bifunctional mu and delta opioid receptor ligand with high mu opioid receptor efficacy KM Olson, AL Devereaux, P Chatterjee, SL Saldaña-Shumaker, A Shafer, ... Frontiers in Pharmacology 14, 1230053, 2023	3	2023
Cancer cell metabolism featuring Nrf2 P Chatterjee, M Yadav, N Chauhan, Y Huang, Y Luo Current Drug Discovery Technologies 17 (3), 263-271, 2020	3	2020
A Nexus model of cellular transition in cancer M Yadav, P Chatterjee, S Tolani, J Kulkarni, M Mulye, N Chauhan, ... Biological Research 51 (1), 23, 2018	2	2018

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