Suman Sirimulla - Publications, H-index & Citations

Suman Sirimulla

expert systems inc

18H指数

70论文数

1.5K被引数

收录论文 21

发表时间

The evolving landscape of drug targets 药物靶点的发展态势

Nature Reviews Drug Discovery

IF101.8

2026-09-21

PREAI

Liliana Halip; Sorin Avram; John P. Overington; Bissan Al-Lazikani; Ramona Curpan; Suman Sirimulla; Alexei Pushechnikov; Andrea Rosario Beccari; Nikolay Savchuck; Tudor I. Oprea

Pathogenic variants in TMEM184B cause a neurodevelopmental syndrome associated with alteration of metabolic signaling TMEM184B基因中的致病性变异会导致一种与代谢信号改变相关的神经发育综合征。

american journal of human genetics

IF0

2025-08-29

OAAI

Kimberly A. Chapman; Farid Ullah; Zachary A. Yahiku; Sheraz Khan; Sri Varsha Kodiparthi; Georgios Kellaris; Hazel G. White; Andrew T. Powell; Sandrina P. Correia; Tommy Stödberg; Christalena Sofocleous; Nikolaos M. Marinakis; Helena Fryssira; Eirini Tsoutsou; Jan Traeger-Synodinos; Andrea Accogli; Vittorio Sciruicchio; Vincenzo Salpietro; Pasquale Striano; Candace Muss; Boris Keren; Delphine Heron; Seth I. Berger; Kelvin W. Pond; Suman Sirimulla; Erica E. Davis; Martha R.C. Bhattacharya

Seeking novel therapeutic targets in oncology using machine learning

CANCER RESEARCH

IF16.6

2024-03-22

PREAI

Quazi, Mohammed; Sirimulla, Suman; Bologa, Cristian G.; Pushechnikov, Alexei; Savchuk, Nikolay; Oprea, Tudor Ionel

Theoretical prediction of superatom molecular orbitals (SAMOs) in the ice-like cluster (H2O)10 and its impact in the supramolecular chemistry and function of nanostructured water

CHEMICAL PHYSICS IMPACT

IF4.3

2022-12-01

OAAI

Hernandez-Ortega, Javier; Casillas, Ruben; Mohan, Neetha; Sirimulla, Suman; Noveron, Juan C.

Repurposing and Designing Anti-Giardial Drugs Targeting Lipids and Membranes

FASEB JOURNAL

IF4.2

2022-05-13

PREAI

Pence, Breanna; Vankoten, Harrison; Klinkenberg, James; Grajeda, Brian; Ellis, Cameron; Sirimulla, Suman; Patterson, Steven; Das, Siddhartha

BiasNet: A Model to Predict Ligand Bias Toward GPCR Signaling

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2021-08-16

OAAI

Sanchez, Jason E.; Kc, Govinda B.; Franco, Julian; Allen, William J.; Garcia, Jesus David; Sirimulla, Suman

A machine learning platform to estimate anti-SARS-CoV-2 activities

NATURE MACHINE INTELLIGENCE

IF23.9

2021-05-03

OAAI

KC, Govinda B.; Bocci, Giovanni; Verma, Srijan; Hassan, Md Mahmudulla; Holmes, Jayme; Yang, Jeremy J.; Sirimulla, Suman; Oprea, Tudor I.

Multi-Layer Combinatorial Fusion Using Cognitive Diversity

IEEE ACCESS

IF3.6

2021-01-01

OAAI

Hurley, Landon; Kristal, Bruce S.; Sirimulla, Suman; Schweikert, Christina; Hsu, D. Frank

DrugCentral 2021 supports drug discovery and repositioning

NUCLEIC ACIDS RESEARCH

IF13.1

2020-11-05

109

OAAI

Avram, Sorin; Bologa, Cristian G.; Holmes, Jayme; Bocci, Giovanni; Wilson, Thomas B.; Dac-Trung Nguyen; Curpan, Ramona; Halip, Liliana; Bora, Alina; Yang, Jeremy J.; Knockel, Jeffrey; Sirimulla, Suman; Ursu, Oleg; Oprea, Tudor, I

An Improved Free Energy Perturbation FEP plus Sampling Protocol for Flexible Ligand-Binding Domains

SCIENTIFIC REPORTS

IF3.9

2019-11-14

OAAI

Fratev, Filip; Sirimulla, Suman

Developing small molecule inhibitors that target androgen receptor signaling in castration-resistant prostate cancer

CANCER RESEARCH

IF16.6

2019-07-01

PREAI

Chandrasekaran, Balaji; Tyagi, Ashish; Kolluru, Venkatesh; Vadhanam, Aakash M.; von Baby, Becca; Gorle, Suresh; Sirimulla, Suman; Ramisetti, Srinivasa R.; Sharma, Arun K.; Ankem, Murali K.; Damodaran, Chendil

Discovery of GlyT2 Inhibitors Using Structure-Based Pharmacophore Screening and Selectivity Studies by FEP plus Calculations

ACS MEDICINAL CHEMISTRY LETTERS

IF4

2019-05-22

OAAI

Fratev, Filip; Miranda-Arango, Manuel; Lopez, Ashley Bryan; Padilla, Elvia; Sirimulla, Suman

Elucidation of the orientation of selected drugs with 2-hydroxylpropyl-β-cyclodextrin using 2D-NMR spectroscopy and molecular modeling

INTERNATIONAL JOURNAL OF PHARMACEUTICS

IF5.2

2018-07-01

PREAI

Adhikari, Saugat; Daftardar, Saloni; Fratev, Filip; Rivera, Miguel; Sirimulla, Suman; Alexander, Kenneth; Boddu, Sai H. S.

Looking Back, Looking Forward at Halogen Bonding in Drug Discovery

MOLECULES

IF4.6

2017-08-24

148

OAAI

Mendez, Lois; Henriquez, Gabriela; Sirimulla, Suman; Narayan, Mahesh

S•••O and S•••N Sulfur Bonding Interactions in Protein-Ligand Complexes: Empirical Considerations and Scoring Function

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2016-12-12

PREAI

Koebel, Mathew R.; Cooper, Aaron; Schmadeke, Grant; Jeon, Soyoung; Narayan, Mahesh; Sirimulla, Suman

Targeting aberrant expression of Notch-1 in ALDH+ cancer stem cells in breast cancer

MOLECULAR CARCINOGENESIS

IF3.2

2016-11-05

OAAI

Pal, Deeksha; Kolluru, Venkatesh; Chandrasekaran, Balaji; Baby, Becca V.; Aman, Masarath; Suman, Suman; Sirimulla, Suman; Sanders, Mary Ann; Alatassi, Houda; Ankem, Murali K.; Damodaran, Chendil

AutoDock VinaXB: implementation of XBSF, new empirical halogen bond scoring function, into AutoDock Vina

JOURNAL OF CHEMINFORMATICS

IF5.7

2016-05-18

111

OAAI

Koebel, Mathew R.; Schmadeke, Grant; Posner, Richard G.; Sirimulla, Suman

Halogen Interactions in Protein-Ligand Complexes: Implications of Halogen Bonding for Rational Drug Design

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2013-11-13

230