N. Sukumar

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Curt BrenemanDean of Science, Professor of Chemistry & Chemical Biology, Rensselaer Polytechnic InstituteVerified email at rpi.edu
Kristin P. BennettProfessor of Mathematical Sciences, Renssealer Polytechnic InstituteVerified email at rpi.edu
Steven M. CramerInstitute Professor, Rensselaer Polytechnic InstituteVerified email at rpi.edu
Mark EmbrechtsChief Science Officer, CardioMag Imaging, Inc. and Professor of Mechanical Aerospace and NuclearVerified email at rpi.edu
Minghu SongUniversity of ConnecticutVerified email at uconn.edu
Michael KreinLockheed Martin Advanced Technology LaboratoriesVerified email at lmco.com
Pinaki SahaResearch Fellow, University of HertfordshireVerified email at snu.edu.in
Alexander TropshaProfessor at UNC-Chapel HillVerified email at unc.edu
Amol B. RahaneDept. of Physics, KRT Arts, BH Commerce & AM Science (KTHM) College, Nashik, SPPU, PuneVerified email at kthmcollege.ac.in
Vijay KumarDr. Vijay Kumar Foundation and Shiv Nadar UniversityVerified email at snu.edu.in
Gregory SotzingProfessor of Chemistry, University of ConnecticutVerified email at uconn.edu
Chenchen WangUniversity of ConnecticutVerified email at uconn.edu
Ke (Kevin) WuRensselaer Polytechnic InstituteVerified email at google.com
Shoba RanganathanMacquarie UniversityVerified email at mq.edu.au
Sourav Das, PhDSenior Scientist, Cheminformatics, St. Jude Children's Research HospitalVerified email at stjude.org
Bani Kanta SarmaAssociate Professor, New Chemistry Unit, JNCASRVerified email at jncasr.ac.in
Kunal Kumar JhaPost Doctoral Fellow @CaltechVerified email at caltech.edu
Kaushal RegeFulton Faculty Impact Professor, Chemical Engineering; Chair, Biological Design Graduate ProgramVerified email at asu.edu
Jonathan DordickRensselaer Polytechnic InstituteVerified email at rpi.edu
Troy WoodProfessor of Chemistry and Laboratory Director, University at BuffaloVerified email at buffalo.edu

N. Sukumar

Other namesSukumar Nagamani, Nagamani Sukumar

Amrita Vishwa Vidyapeetham

Verified email at cb.amrita.edu - Homepage

theoretical & computational chemistry


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Prediction of protein retention times in anion-exchange chromatography systems using support vector regression M Song, CM Breneman, J Bi, N Sukumar, KP Bennett, S Cramer, N Tugcu Journal of chemical information and computer sciences 42 (6), 1347-1357, 2002	222	2002
Prediction of protein retention in ion-exchange systems using molecular descriptors obtained from crystal structure CB Mazza, N Sukumar, CM Breneman, SM Cramer Analytical chemistry 73 (22), 5457-5461, 2001	113	2001
Reciprocal carbonyl–carbonyl interactions in small molecules and proteins BKS Abdur Rahim, Pinaki Saha, Kunal Kumar, N. Sukumar Nature Communications 8, 78, 2017	86	2017
Chemometric analysis of ligand receptor complementarity: identifying Complementary Ligands Based on Receptor Information (CoLiBRI) S Oloff, S Zhang, N Sukumar, C Breneman, A Tropsha Journal of chemical information and modeling 46 (2), 844-851, 2006	76	2006
Transferable atom equivalent multicentered multipole expansion method CE Whitehead, CM Breneman, N Sukumar, MD Ryan Journal of computational chemistry 24 (4), 512-529, 2003	76	2003
New developments in PEST shape/property hybrid descriptors CM Breneman, CM Sundling, N Sukumar, L Shen, WP Katt, MJ Embrechts Journal of computer-aided molecular design 17, 231-240, 2003	67	2003
High‐throughput screening and quantitative structure‐efficacy relationship models of potential displacer molecules for ion‐exchange systems CB Mazza, K Rege, CM Breneman, N Sukumar, JS Dordick, SM Cramer Biotechnology and bioengineering 80 (1), 60-72, 2002	62	2002
A matter of density: exploring the electron density concept in the chemical, biological, and materials sciences N Sukumar John Wiley & Sons, 2012	57	2012
Prediction of the effect of mobile-phase salt type on protein retention and selectivity in anion exchange systems N Tugcu, M Song, CM Breneman, N Sukumar, KP Bennett, SM Cramer Analytical Chemistry 75 (14), 3563-3572, 2003	57	2003
Computational evaluation and comparison of some nitramine properties P Politzer, N Sukumar, K Jayasuriya, S Ranganathan Journal of the American Chemical Society 110 (11), 3425-3430, 1988	54	1988
Current trends in virtual high throughput screening using ligand-based and structure-based methods N Sukumar, S Das Combinatorial chemistry & high throughput screening 14 (10), 872-888, 2011	49	2011
Prediction of polymer properties using infinite chain descriptors (ICD) and machine learning: Toward optimized dielectric polymeric materials K Wu, N Sukumar, NA Lanzillo, C Wang, R “Rampi” Ramprasad, R Ma, ... Journal of Polymer Science Part B: Polymer Physics 54 (20), 2082-2091, 2016	48	2016
New group IV chemical motifs for improved dielectric permittivity of polyethylene G Pilania, CC Wang, K Wu, N Sukumar, C Breneman, G Sotzing, ... Journal of chemical information and modeling 53 (4), 879-886, 2013	43	2013
A universal density criterion for correlating the radii and other properties of atoms and ions BM Deb, R Singh, N Sukumar Journal of Molecular Structure: THEOCHEM 259, 121-139, 1992	40	1992
Applications of genetic algorithms in QSAR/QSPR modeling N Sukumar, G Prabhu, P Saha Applications of metaheuristics in process engineering, 315-324, 2014	35	2014
Three-dimensional quantitative structure–activity relationship analyses of piperidine-based CCR5 receptor antagonists M Song, CM Breneman, N Sukumar Bioorganic & medicinal chemistry 12 (2), 489-499, 2004	34	2004
Adsorption of O~ 2 on TiO~ 2 (110): A theoretical study C Shu, N Sukumar, CP Ursenbach Journal of Chemical Physics 110, 10539-10544, 1999	32	1999
MQSPR modeling in materials informatics: a way to shorten design cycles? N Sukumar, M Krein, Q Luo, C Breneman Journal of Materials Science 47, 7703-7715, 2012	31	2012
QTAIM in drug discovery and protein modeling N Sukumar, CM Breneman The quantum theory of atoms in molecules: From solid state to DNA and drug …, 2007	30	2007
New insights into the molecular mechanisms of glutaminase C inhibitors in cancer cells using serial room temperature crystallography SK Milano, Q Huang, TTT Nguyen, S Ramachandran, A Finke, I Kriksunov, ... Journal of Biological Chemistry 298 (2), 2022	27	2022

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