Ajay N. Jain - RankMe

45 papers Misc 4Journal 33Unranked 7

Year	Rank	Type	Title / Venue / Authors
2024	J	`jnl`	Correction: Complex peptide macrocycle optimization: combining NMR restraints with conformational analysis to guide structure-based and ligand-based design. J. Comput. Aided Mol. Des. Ajay N. Jain, Alexander C. Brueckner, Christine Jorge, Ann E. Cleves, Purnima Khandelwal, Janet Caceres Cortes, Luciano Mueller
2024	J	`jnl`	Deep-Learning Based Docking Methods: Fair Comparisons to Conventional Docking Workflows. CoRR Ajay N. Jain, Ann E. Cleves, W. Patrick Walters
2024	J	`jnl`	From UK-2A to florylpicoxamid: Active learning to identify a mimic of a macrocyclic natural product. J. Comput. Aided Mol. Des. Ann E. Cleves, Ajay N. Jain, David A. Demeter, Zachary A. Buchan, Jeremy Wilmot, Erin N. Hancock
2024	—	`—`	PARSEC: A Connectionist Learning Architecture for Parsing Spoken Language Ajay N. Jain
2024	J	`jnl`	Structure-based pose prediction: Non-cognate docking extended to macrocyclic ligands. J. Comput. Aided Mol. Des. Ann E. Cleves, Himani Tandon, Ajay N. Jain
2023	J	`jnl`	Complex peptide macrocycle optimization: combining NMR restraints with conformational analysis to guide structure-based and ligand-based design. J. Comput. Aided Mol. Des. Ajay N. Jain, Alexander C. Brueckner, Christine Jorge, Ann E. Cleves, Purnima Khandelwal, Janet Caceres Cortes, Luciano Mueller
2021	J	`jnl`	Synergy and Complementarity between Focused Machine Learning and Physics-Based Simulation in Affinity Prediction. J. Chem. Inf. Model. Ann E. Cleves, Stephen R. Johnson, Ajay N. Jain
2020	J	`jnl`	Structure- and Ligand-Based Virtual Screening on DUD-E+: Performance Dependence on Approximations to the Binding Pocket. J. Chem. Inf. Model. Ann E. Cleves, Ajay N. Jain
2019	J	`jnl`	Complex macrocycle exploration: parallel, heuristic, and constraint-based conformer generation using ForceGen. J. Comput. Aided Mol. Des. Ajay N. Jain, Ann E. Cleves, Qi Gao, Xiao Wang, Yizhou Liu, Edward C. Sherer, Mikhail Y. Reibarkh
2019	J	`jnl`	Electrostatic-field and surface-shape similarity for virtual screening and pose prediction. J. Comput. Aided Mol. Des. Ann E. Cleves, Stephen R. Johnson, Ajay N. Jain
2018	J	`jnl`	Quantitative surface field analysis: learning causal models to predict ligand binding affinity and pose. J. Comput. Aided Mol. Des. Ann E. Cleves, Ajay N. Jain
2017	J	`jnl`	ForceGen 3D structure and conformer generation: from small lead-like molecules to macrocyclic drugs. J. Comput. Aided Mol. Des. Ann E. Cleves, Ajay N. Jain
2016	J	`jnl`	Extrapolative prediction using physically-based QSAR. J. Comput. Aided Mol. Des. Ann E. Cleves, Ajay N. Jain
2015	J	`jnl`	Chemical and protein structural basis for biological crosstalk between PPARα and COX enzymes. J. Comput. Aided Mol. Des. Ann E. Cleves, Ajay N. Jain
2015	J	`jnl`	Knowledge-guided docking: accurate prospective prediction of bound configurations of novel ligands using Surflex-Dock. J. Comput. Aided Mol. Des. Ann E. Cleves, Ajay N. Jain
2014	Misc	`conf`	Prediction of Off-Target Drug Effects Through Data Fusion. Pacific Symposium on Biocomputing Emmanuel R. Yera, Ann E. Cleves, Ajay N. Jain
2014	J	`jnl`	Surflex-QMOD: physically meaningful QSAR. J. Cheminformatics Alexander Steudle, Rocco Varela, Ajay N. Jain
2013	J	`jnl`	A structure-guided approach for protein pocket modeling and affinity prediction. J. Comput. Aided Mol. Des. Rocco Varela, Ann E. Cleves, Russell Spitzer, Ajay N. Jain
2012	J	`jnl`	Does your model weigh the same as a Duck? J. Comput. Aided Mol. Des. Ajay N. Jain, Ann E. Cleves
2012	J	`jnl`	Surflex-Dock: Docking benchmarks and real-world application. J. Comput. Aided Mol. Des. Russell Spitzer, Ajay N. Jain
2010	J	`jnl`	QMOD: physically meaningful QSAR. J. Comput. Aided Mol. Des. Ajay N. Jain
2009	J	`jnl`	Effects of protein conformation in docking: improved pose prediction through protein pocket adaptation. J. Comput. Aided Mol. Des. Ajay N. Jain
2008	J	`jnl`	Accurate and Interpretable Computational Modeling of Chemical Mutagenicity. J. Chem. Inf. Model. James J. Langham, Ajay N. Jain
2008	J	`jnl`	Bias, reporting, and sharing: computational evaluations of docking methods. J. Comput. Aided Mol. Des. Ajay N. Jain
2008	J	`jnl`	Customizing scoring functions for docking. J. Comput. Aided Mol. Des. Tuan A. Pham, Ajay N. Jain
2008	J	`jnl`	Effects of inductive bias on computational evaluations of ligand-based modeling and on drug discovery. J. Comput. Aided Mol. Des. Ann E. Cleves, Ajay N. Jain
2008	J	`jnl`	Recommendations for evaluation of computational methods. J. Comput. Aided Mol. Des. Ajay N. Jain, Anthony Nicholls
2007	J	`jnl`	Surflex-Dock 2.1: Robust performance from ligand energetic modeling, ring flexibility, and knowledge-based search. J. Comput. Aided Mol. Des. Ajay N. Jain
2006	J	`jnl`	A deterministic motif finding algorithm with application to the human genome. Bioinform. Lawrence S. Hon, Ajay N. Jain
2006	J	`jnl`	Pathway recognition and augmentation by computational analysis of microarray expression data. Bioinform. Barbara A. Novak, Ajay N. Jain
2003	—	`conf`	Statistical issues in the analysis of the array CGH data. CSB Jane Fridlyand, Antoine Snijders, Dan Pinkel, Donna Albertson, Ajay N. Jain
2003	—	`conf`	Wavelet Transforms for the Analysis of Microarray Experiments. CSB Taku A. Tokuyasu, Donna Albertson, Dan Pinkel, Ajay N. Jain
2002	J	`jnl`	Deriving quantitative conclusions from microarray expression data. Bioinform. Adam B. Olshen, Ajay N. Jain
2000	J	`jnl`	Morphological similarity: A 3D molecular similarity method correlated with protein-ligand recognition. J. Comput. Aided Mol. Des. Ajay N. Jain
1996	J	`jnl`	Scoring noncovalent protein-ligand interactions: A continuous differentiable function tuned to compute binding affinities. J. Comput. Aided Mol. Des. Ajay N. Jain
1994	J	`jnl`	Compass: A shape-based machine learning tool for drug design. J. Comput. Aided Mol. Des. Ajay N. Jain, Thomas G. Dietterich, Richard H. Lathrop, David Chapman, Roger E. Critchlow Jr., Barr E. Bauer, Teresa A. Webster, Tomás Lozano-Pérez
1993	—	`conf`	A Comparison of Dynamic Reposing and Tangent Distance for Drug Activity Prediction. NIPS Thomas G. Dietterich, Ajay N. Jain, Richard H. Lathrop, Tomás Lozano-Pérez
1992	Misc	`conf`	PARSEC: a structured connectionist parsing system for spoken language. ICASSP Ajay N. Jain, Alex Waibel, David S. Touretzky
1991	—	`conf`	Generalization Performance in PARSEC - A Structured Connectionist Parsing Architecture. NIPS Ajay N. Jain
1991	—	`conf`	JANUS: Speech-to-Speech Translation Using Connectionist and Non-Connectionist Techniques. NIPS Alex Waibel, Ajay N. Jain, Arthur E. McNair, Joe Tebelskis, Louise Osterholtz, Hiroaki Saito, Otto Schmidbauer, Tilo Sloboda, Monika Woszczyna
1991	Misc	`conf`	JANUS: a speech-to-speech translation system using connectionist and symbolic processing strategies. ICASSP Alex Waibel, Ajay N. Jain, Arthur E. McNair, Hiroaki Saito, Alexander G. Hauptmann, Joe Tebelskis
1991	J	`jnl`	Parsing Complex Sentences with Structured Connectionist Networks. Neural Comput. Ajay N. Jain
1990	Misc	`conf`	Robust connectionist parsing of spoken language. ICASSP Ajay N. Jain, Alexander H. Waibel
1989	—	`conf`	A Connectionist Parser Aimed at Spoken Language. IWPT Ajay N. Jain, Alex Waibel
1989	—	`conf`	Incremental Parsing by Modular Recurrent Connectionist Networks. NIPS Ajay N. Jain, Alex Waibel