7 research outputs found
Exploring the Scoring Function Space
- Author
- BK Shoichet
- BR Stockwell
- C Lipinski
- CM Dobson
- DS Goodsell
- G Bitencourt-Ferreira
- G Heberlé
- GM Morris
- GM Morris
- GM Morris
- GS Heck
- J Hou
- J Jiménez
- JH Zar
- JM Smith
- LS Azevedo
- MB Ávila de
- MB Ávila de
- MEA Amaral
- MM Xavier
- NMB Levin
- O Trott
- P Kirkpatrick
- PA Volkart
- PG Freitas
- R Dias
- R Thomsen
- RS Bohacek
- Silvana Russo
- VO Pintro
- WF Azevedo de Jr
- WF Azevedo De Jr
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
No full textMolegro Virtual Docker for Docking
- Author
- A Abdolmaleki
- A Abdolmaleki
- A Crespo
- A Ganesan
- AW Murray
- CB Teles
- CF Wong
- CL Hung
- CP Vianna
- DO Morgan
- DS Goodsell
- DS Wishart
- DS Wishart
- DS Wishart
- F Canduri
- F Zhong
- FP Moraes
- G Bitencourt-Ferreira
- G Heberlé
- GM Morris
- GM Morris
- GM Morris
- GS Heck
- H Park
- HL Bondt De
- HM Ishiki
- J Michel
- J Tabeshpour
- JA Nelder
- JD Coracini
- JJ Irwin
- JJ Irwin
- JM Yang
- JM Yang
- M Aarthy
- M Ramesh
- M Zloh
- MB Soares
- MB Ávila de
- MB Ávila de
- MEA Amaral
- MH Baig
- MM Xavier
- MR Reddy
- MS Sá
- NM Levin
- NMB Levin
- O Korb
- O Trott
- P Śledź
- PA Volkart
- PG Freitas
- R Storn
- R Thomsen
- RM Jayadeepa
- SA Sehgal
- SH Kim
- Silvana Russo
- SP Leelananda
- U Schulze-Gahmen
- V Krystof
- V Suryanarayanan
- VO Pintro
- WF Azevedo De
- WF Azevedo de Jr
- WF Azevedo De Jr
- WF Azevedo De Jr
- X Zheng
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
No full textElectrostatic Energy in Protein–Ligand Complexes
- Author
- CP Vianna
- DS Goodsell
- DS Goodsell
- EL Mehler
- F Canduri
- G Bitencourt-Ferreira
- G Heberlé
- G Klebe
- GB Barcellos
- GM Morris
- GM Morris
- GM Morris
- GS Heck
- HA Arcuri
- HA Arcuri
- HA Arcuri
- HB Uchôa
- HJ Böhm
- HJ Böhm
- HJ Böhm
- HJ Böhm
- HM Berman
- HM Berman
- I Pauli
- I Pauli
- J Gasteiger
- J Westbrook
- JC Borges
- JD Coracini
- JE Lennard-Jones
- JH Pereira
- JH Pereira
- JH Pereira
- L Hu
- LS Azevedo
- M Stahl
- MB Avila de
- MB Ávila de
- MB Ávila de
- MEA Amaral
- MM Jaghoori
- MM Xavier
- MR Marques
- MR Marques
- MV Dias
- MV Dias
- MV Dias
- MV Dias
- MZ Hernandes
- NJ Silveira
- NJ Silveira da
- NJF Silveira da
- NM Levin
- NMB Levin
- O Trott
- PA Volkart
- PG Freitas
- R Dias
- R Dias
- R Huey
- R Thomsen
- R Wang
- RA Caceres
- T Liu
- T Parish
- VO Pintro
- WF Azevedo de Jr
- WF Azevedo de Jr
- WF Azevedo de Jr
- WF Azevedo de Jr
- WF Azevedo de Jr
- WF Azevedo De Jr
- WF Azevedo de Jr
- WF Azevedo de Jr
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
No full textMachine Learning to Predict Binding Affinity
- Author
- A Aleksandrov
- A Breda
- A Lemos
- A Nowaczyk
- AHB Neco
- AM Legendre
- AN Tikhonov
- AW Murray
- BS Cavada
- C Wang
- D Zilian
- DO Morgan
- DS Goodsell
- F Berti
- F Canduri
- F Canduri
- F Liu
- F Pedregosa
- FF Ribeiro
- G Bitencourt-Ferreira
- G Heberlé
- G Klebe
- GM Morris
- GM Morris
- GM Morris
- GS Heck
- H Li
- H Li
- H Li
- H Safarizadeh
- H Zou
- HJ Böhm
- HJ Böhm
- HJ Böhm
- HJ Böhm
- HL Bondt De
- HM Berman
- J Bell
- J Gasteiger
- J Hochuli
- J Jiménez
- J Sunseri
- J Tong
- JD Hirst
- JD Hirst
- JE Lennard-Jones
- JH Zar
- K Afifi
- L Zhang
- LC Xue
- LS Azevedo
- M Joy
- M Kumari
- M Miller
- M Nanard
- M Ragoza
- M Stahl
- M Wójcikowski
- MA Khamis
- MA Navia
- MB Ávila de
- MB Ávila de
- MEA Amaral
- MM Xavier
- MSM Usman
- NM Levin
- NMB Levin
- O Korb
- O Korb
- O Trott
- P Bruce
- PA Volkart
- PG Freitas
- PJ Ballester
- QU Ain
- R Dias
- R Dias
- R Thomsen
- R Tibshirani
- RB Leal
- SH Kim
- Silvana Russo
- U Schulze-Gahmen
- V Krystof
- VG Maltarollo
- VH Masand
- VO Pintro
- VR Pinto-Junior
- WA Abbasi
- WF Azevedo De
- WF Azevedo de Jr
- WF Azevedo De Jr
- WF Azevedo De Jr
- WF Azevedo de Jr
- X Pang
- Z Lv
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
No full textHydrogen Bonds in Protein-Ligand Complexes
- Author
- A Breda
- A Fahmy
- A Heifetz
- AC Wallace
- AM Leopoldino
- AW Murray
- BA Rocha
- C Messina
- CP Vianna
- D Ribnikar
- DO Morgan
- DO Nolasco
- F Canduri
- F Canduri
- F Canduri
- F Canduri
- F Canduri
- F Canduri
- G Bitencourt-Ferreira
- G Heberlé
- G Rádis-Baptista
- GA Bezerra
- GB Barcellos
- H Iwata
- HA Arcuri
- HA Arcuri
- HA Arcuri
- HB Uchôa
- HM Berman
- HM Berman
- I Pauli
- I Pauli
- J Westbrook
- JC Borges
- JC Kendrew
- JD Coracini
- JE Lennard-Jones
- JH Pereira
- JH Pereira
- JH Pereira
- JM Martin
- JR Choo
- L Hu
- L Pauling
- L Pauling
- L Pauling
- L Pauling
- LF Timmers
- LS Azevedo
- M Banys-Paluchowski
- M Robert
- MB Soares
- MB Ávila de
- MB Ávila de
- MEA Amaral
- MM Xavier
- MR Marques
- MR Marques
- MS Cintrón
- MV Dias
- MV Dias
- MV Dias
- MV Dias
- MZ Hernandes
- NF Paparidis
- NFP Dos Santos
- NJ Silveira
- NJ Silveira da
- NJ Silveira da
- NJF Silveira da
- NM Levin
- NMB Levin
- ON Demerdash
- P Delatorre
- P Delatorre
- PA Volkart
- PC Perez
- PG Freitas
- R Dias
- R Dias
- R Huey
- R Roskoski Jr
- R Thomsen
- R Wang
- RA Caceres
- RA Caceres
- RA Laskowski
- RG Ducati
- RG Silva
- S Kim
- T Liu
- T Parish
- V Hornak
- V Krystof
- VO Pintro
- W Filgueira de Azevedo Jr
- W Humphrey
- WD Cornell
- WF Azevedo De
- WF Azevedo de Jr
- WF Azevedo De Jr
- WF Azevedo de Jr
- WF Azevedo De Jr
- WF Azevedo de Jr
- WF Azevedo de Jr
- WF Azevedo de Jr
- WF Azevedo de Jr
- WF Azevedo de Jr
- WF Azevedo De Jr
- WF Azevedo de Jr
- WF Azevedo de Jr
- WF Azevedo de Jr
- WF Azevedo de Jr
- WF Azevedo de Jr
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
No full textHow Docking Programs Work
- Author
- A Breda
- AM Leopoldino
- AW Murray
- CB Teles
- CP Vianna
- DB Kitchen
- DE Koshland Jr
- DM Santos dos
- DO Morgan
- DO Nolasco
- DS Goodsell
- E Fischer
- E Fischer
- F Ballante
- F Canduri
- F Canduri
- F Canduri
- F Canduri
- F Canduri
- F Canduri
- F Canduri
- F Canduri
- FP Moraes
- G Bitencourt-Ferreira
- G Heberlé
- G Klebe
- G Rádis-Baptista
- GA Bezerra
- GM Morris
- GM Morris
- GM Morris
- GS Heck
- HJ Böhm
- HJ Böhm
- HJ Böhm
- HJ Böhm
- HL Bondt De
- HM Berman
- HM Berman
- ID Kuntz
- J Westbrook
- JC Borges
- JD Coracini
- JH Pereira
- JH Pereira
- JH Zar
- JJ Irwin
- JJ Irwin
- JM Yang
- JM Yang
- L Hu
- LS Azevedo
- M Kontoyianni
- M Stahl
- M Vieth
- MB Avila de
- MB Soares
- MB Ávila de
- MB Ávila de
- MEA Amaral
- ML Sforça
- MM Xavier
- MR Marques
- MR Marques
- MS Sá
- MV Dias
- MV Dias
- MV Dias
- NJ Silveira da
- NM Levin
- NMB Levin
- O Trott
- P Delatorre
- P Delatorre
- PA Volkart
- PG Freitas
- R Dias
- R Thomsen
- R Wang
- RA Friesner
- RA Friesner
- RG Ducati
- RG Silva
- RJ Falconer
- SH Kim
- Silvana Russo
- T Lengauer
- T Liu
- TA Halgren
- TT Ashburn
- U Schulze-Gahmen
- V Krystof
- V Salmaso
- VO Pintro
- W Filgueira de Azevedo Jr
- W Filgueira de Azevedo Jr
- W Ma
- WF Azevedo De
- WF Azevedo de Jr
- WF Azevedo de Jr
- WF Azevedo de Jr
- WF Azevedo de Jr
- WF Azevedo De Jr
- WF Azevedo de Jr
- WF Azevedo de Jr
- WF Azevedo de Jr
- WF Azevedo de Jr
- WF Azevedo de Jr
- WF Azevedo de Jr
- WF Azevedo de Jr
- WF Azevedo de Jr
- WF Azevedo de Jr
- WL Jorgensen
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
No full textSAnDReS: A Computational Tool for Docking
- Author
- A Breda
- A Hillisch
- AJ Olson
- AW Murray
- BA Rocha
- BD Dorsey
- BK Shoichet
- BL King
- BS Cavada
- CB Teles
- CP Vianna
- D Horvath
- DA Gschwend
- DK Gehlhaar
- DO Morgan
- DO Nolasco
- DS Goodsell
- DS Goodsell
- E Rutenber
- EA Lunney
- F Ballante
- F Canduri
- F Canduri
- F Canduri
- F Canduri
- F Canduri
- F Canduri
- F Canduri
- F Pedregosa
- FB Moreno
- FP Moraes
- G Bitencourt-Ferreira
- G Heberlé
- G Rádis-Baptista
- GA Bezerra
- GM Morris
- GM Morris
- GM Morris
- GS Heck
- HA Arcuri
- HA Arcuri
- HA Arcuri
- HM Berman
- HM Berman
- I Muegge
- ID Kuntz
- ID Kuntz
- J Erickson
- J Westbrook
- JD Coracini
- JH Pereira
- JH Toney
- KK Manhani
- L Hu
- LF Timmers
- LF Timmers
- LS Azevedo
- M Vaillancourt
- M Vieth
- MB Soares
- MB Ávila de
- MB Ávila de
- MEA Amaral
- MM Jaghoori
- MM Xavier
- MR Marques
- MR Marques
- MV Dias
- MV Dias
- MV Dias
- N El-Hachem
- NA Roberts
- NJ Silveira da
- NM Levin
- NMB Levin
- P Delatorre
- P Delatorre
- PA Volkart
- PG Freitas
- PW Finn
- Q Zheng
- R Dias
- R Dias
- R Wang
- RA Caceres
- RG Ducati
- RG Silva
- RL DesJarlais
- S Wang
- SH Kim
- Silvana Russo
- T Liu
- T Toyoda
- V Krystof
- VO Pintro
- W Filgueira de Azevedo Jr
- W Filgueira de Azevedo Jr
- W Filgueira de Azevedo Jr
- WF Azevedo de
- WF Azevedo de Jr
- WF Azevedo de Jr
- WF Azevedo de Jr
- WF Azevedo de Jr
- WF Azevedo de Jr
- WF Azevedo de Jr
- WF Azevedo de Jr
- WF Azevedo de Jr
- WF Azevedo de Jr
- WF Azevedo de Jr
- WF Azevedo de Jr
- WF Azevedo de Jr
- WP Walters
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
No full text
